PubChemLite - Carbonylhydrido[6-(di-t-butylphosphinomethylene)-2-(n,n-diethylaminomethyl)-1,6-dihydropyridine]ruthenium(ii) (C19H35N2P)

Structural Information

Molecular Formula

C₁₉H₃₅N₂P

SMILES

CCN(CC)CC1=CC=C/C(=C/P(C(C)(C)C)C(C)(C)C)/N1

InChI

InChI=1S/C19H35N2P/c1-9-21(10-2)14-16-12-11-13-17(20-16)15-22(18(3,4)5)19(6,7)8/h11-13,15,20H,9-10,14H2,1-8H3/b17-15-

InChIKey

LCGJXEIAFHAAGM-ICFOKQHNSA-N

Compound name

N-[[(6Z)-6-(ditert-butylphosphanylmethylidene)-1H-pyridin-2-yl]methyl]-N-ethylethanamine

Related CIDs

2D Structure

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	323.26106	190.3
[M+Na]+	345.24300	192.9
[M-H]-	321.24650	190.2
[M+NH4]+	340.28760	204.1
[M+K]+	361.21694	189.9
[M+H-H2O]+	305.25104	181.0
[M+HCOO]-	367.25198	210.0
[M+CH3COO]-	381.26763	217.0
[M+Na-2H]-	343.22845	187.3
[M]+	322.25323	190.8
[M]-	322.25433	190.8

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

323.26106

190.3

[M+Na]+

345.24300

192.9

[M-H]-

321.24650

190.2

[M+NH4]+

340.28760

204.1

[M+K]+

361.21694

189.9

[M+H-H2O]+

305.25104

181.0

[M+HCOO]-

367.25198

210.0

[M+CH3COO]-

381.26763

217.0

[M+Na-2H]-

343.22845

187.3

[M]+

322.25323

190.8

[M]-

322.25433

190.8

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.

Carbonylhydrido[6-(di-t-butylphosphinomethylene)-2-(n,n-diethylaminomethyl)-1,6-dihydropyridine]ruthenium(ii)

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

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