PubChemLite - 150359-07-2 (C26H34N4)

Structural Information

Molecular Formula

SMILES

C1CCN2CCC[C@H]([C@H]2C1)CNC3=C4CCCCC4=C(C=C3)N=NC5=CC=CC=C5

InChI

InChI=1S/C26H34N4/c1-2-10-21(11-3-1)28-29-25-16-15-24(22-12-4-5-13-23(22)25)27-19-20-9-8-18-30-17-7-6-14-26(20)30/h1-3,10-11,15-16,20,26-27H,4-9,12-14,17-19H2/t20-,26+/m0/s1

InChIKey

UOPPFMKJKGBCJL-RXFWQSSRSA-N

Compound name

N-[[(1S,9aR)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-yl]methyl]-4-phenyldiazenyl-5,6,7,8-tetrahydronaphthalen-1-amine

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]+	403.28563	193.1
[M+Na]+	425.26757	192.4
[M-H]-	401.27107	201.7
[M+NH4]+	420.31217	203.2
[M+K]+	441.24151	185.9
[M+H-H2O]+	385.27561	179.6
[M+HCOO]-	447.27655	208.5
[M+CH3COO]-	461.29220	199.2
[M+Na-2H]-	423.25302	196.7
[M]+	402.27780	183.1
[M]-	402.27890	183.1

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

403.28563

193.1

[M+Na]+

425.26757

192.4

[M-H]-

401.27107

201.7

[M+NH4]+

420.31217

203.2

[M+K]+

441.24151

185.9

[M+H-H2O]+

385.27561

179.6

[M+HCOO]-

447.27655

208.5

[M+CH3COO]-

461.29220

199.2

[M+Na-2H]-

423.25302

196.7

[M]+

402.27780

183.1

[M]-

402.27890

183.1

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

150359-07-2

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe