3943-82-6 (C25H27ClN2)

Structural Information

Molecular Formula

SMILES

CCNC1=C(C=C(C=C1)C(=C2C=CC(=NCC)C(=C2)C)C3=CC=CC=C3Cl)C

InChI

InChI=1S/C25H27ClN2/c1-5-27-23-13-11-19(15-17(23)3)25(21-9-7-8-10-22(21)26)20-12-14-24(28-6-2)18(4)16-20/h7-16,27H,5-6H2,1-4H3

InChIKey

TVKGDNHBYVWSOH-UHFFFAOYSA-N

Compound name

4-[(2-chlorophenyl)-(4-ethylimino-3-methylcyclohexa-2,5-dien-1-ylidene)methyl]-N-ethyl-2-methylaniline

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]+	391.193556	199.9
[M+Na]+	413.175498	206.6
[M-H]-	389.179004	210.2
[M+NH4]+	408.220103	212.5
[M+K]+	429.149438	198.2
[M+H-H2O]+	373.183540	190.3
[M+HCOO]-	435.184481	218.6
[M+CH3COO]-	449.200131	230.7
[M+Na-2H]-	411.160946	199.1
[M]+	390.18573142	201.4
[M]-	390.18682858	201.4

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

391.193556

199.9

[M+Na]+

413.175498

206.6

[M-H]-

389.179004

210.2

[M+NH4]+

408.220103

212.5

[M+K]+

429.149438

198.2

[M+H-H2O]+

373.183540

190.3

[M+HCOO]-

435.184481

218.6

[M+CH3COO]-

449.200131

230.7

[M+Na-2H]-

411.160946

199.1

[M]+

390.18573142

201.4

[M]-

390.18682858

201.4

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

3943-82-6

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe