PubChemLite - Brn 2990713 (C25H37N)

Structural Information

Molecular Formula

SMILES

CC(=CCC/C(=C\CC/C(=C/CN(C)C/C=C\C1=CC=CC=C1)/C)/C)C

InChI

InChI=1S/C25H37N/c1-22(2)12-9-13-23(3)14-10-15-24(4)19-21-26(5)20-11-18-25-16-7-6-8-17-25/h6-8,11-12,14,16-19H,9-10,13,15,20-21H2,1-5H3/b18-11-,23-14-,24-19+

InChIKey

DUXXMKJBKFTNTG-ATOQAXFPSA-N

Compound name

(2E,6Z)-N,3,7,11-tetramethyl-N-[(Z)-3-phenylprop-2-enyl]dodeca-2,6,10-trien-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]+	352.29988	197.6
[M+Na]+	374.28182	198.3
[M-H]-	350.28532	200.0
[M+NH4]+	369.32642	210.8
[M+K]+	390.25576	192.7
[M+H-H2O]+	334.28986	189.2
[M+HCOO]-	396.29080	216.2
[M+CH3COO]-	410.30645	224.2
[M+Na-2H]-	372.26727	193.0
[M]+	351.29205	198.9
[M]-	351.29315	198.9

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

352.29988

197.6

[M+Na]+

374.28182

198.3

[M-H]-

350.28532

200.0

[M+NH4]+

369.32642

210.8

[M+K]+

390.25576

192.7

[M+H-H2O]+

334.28986

189.2

[M+HCOO]-

396.29080

216.2

[M+CH3COO]-

410.30645

224.2

[M+Na-2H]-

372.26727

193.0

[M]+

351.29205

198.9

[M]-

351.29315

198.9

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

Brn 2990713

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe