PubChemLite - 150359-11-8 (C26H33FN4)

Structural Information

Molecular Formula

SMILES

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

InChI

InChI=1S/C26H33FN4/c27-20-8-5-9-21(17-20)29-30-25-14-13-24(22-10-1-2-11-23(22)25)28-18-19-7-6-16-31-15-4-3-12-26(19)31/h5,8-9,13-14,17,19,26,28H,1-4,6-7,10-12,15-16,18H2/t19-,26+/m0/s1

InChIKey

JMHXRSDTVQHVNN-AFMDSPMNSA-N

Compound name

N-[[(1S,9aR)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-yl]methyl]-4-[(3-fluorophenyl)diazenyl]-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]+	421.27620	198.6
[M+Na]+	443.25814	198.9
[M-H]-	419.26164	206.1
[M+NH4]+	438.30274	208.2
[M+K]+	459.23208	191.9
[M+H-H2O]+	403.26618	184.2
[M+HCOO]-	465.26712	212.9
[M+CH3COO]-	479.28277	204.3
[M+Na-2H]-	441.24359	200.7
[M]+	420.26837	188.1
[M]-	420.26947	188.1

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

421.27620

198.6

[M+Na]+

443.25814

198.9

[M-H]-

419.26164

206.1

[M+NH4]+

438.30274

208.2

[M+K]+

459.23208

191.9

[M+H-H2O]+

403.26618

184.2

[M+HCOO]-

465.26712

212.9

[M+CH3COO]-

479.28277

204.3

[M+Na-2H]-

441.24359

200.7

[M]+

420.26837

188.1

[M]-

420.26947

188.1

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

150359-11-8

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

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