CID 107482

3943-82-6

Structural Information

Molecular Formula
C25H27ClN2
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

compound 2d structure
2
Annotation Hits

1
References

18
Patents

390.18628 Da
Monoisotopic Mass

6.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 391.19356 199.9
[M+Na]+ 413.17550 206.6
[M-H]- 389.17900 210.2
[M+NH4]+ 408.22010 212.5
[M+K]+ 429.14944 198.2
[M+H-H2O]+ 373.18354 190.3
[M+HCOO]- 435.18448 218.6
[M+CH3COO]- 449.20013 230.7
[M+Na-2H]- 411.16095 199.1
[M]+ 390.18573 201.4
[M]- 390.18683 201.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe