PubChemLite - 1-(diphenyl[?]ylidene)-n,n-dimethyl-methanamine (C26H21N7)

Structural Information

Molecular Formula

SMILES

CN(C)C=C1C2=NN=C(N2C3=CC=CC=C3N4C1=NN=C4C5=CC=CC=C5)C6=CC=CC=C6

InChI

InChI=1S/C26H21N7/c1-31(2)17-20-25-29-27-23(18-11-5-3-6-12-18)32(25)21-15-9-10-16-22(21)33-24(28-30-26(20)33)19-13-7-4-8-14-19/h3-17H,1-2H3

InChIKey

IVDOVSVVGGCAGC-UHFFFAOYSA-N

Compound name

1-(3,11-diphenyl-2,4,5,9,10,12-hexazatetracyclo[11.4.0.02,6.08,12]heptadeca-1(17),3,5,8,10,13,15-heptaen-7-ylidene)-N,N-dimethylmethanamine

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]+	432.19313	208.9
[M+Na]+	454.17507	220.5
[M-H]-	430.17857	218.2
[M+NH4]+	449.21967	217.0
[M+K]+	470.14901	214.2
[M+H-H2O]+	414.18311	195.1
[M+HCOO]-	476.18405	225.6
[M+CH3COO]-	490.19970	217.3
[M+Na-2H]-	452.16052	211.2
[M]+	431.18530	210.4
[M]-	431.18640	210.4

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

432.19313

208.9

[M+Na]+

454.17507

220.5

[M-H]-

430.17857

218.2

[M+NH4]+

449.21967

217.0

[M+K]+

470.14901

214.2

[M+H-H2O]+

414.18311

195.1

[M+HCOO]-

476.18405

225.6

[M+CH3COO]-

490.19970

217.3

[M+Na-2H]-

452.16052

211.2

[M]+

431.18530

210.4

[M]-

431.18640

210.4

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

1-(diphenyl[?]ylidene)-n,n-dimethyl-methanamine

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe