CID 108547

2,5-cyclohexadien-1-one, 4-((4-((4-((4-methoxyphenyl)amino)phenyl)amino)phenyl)imino)-

Structural Information

Molecular Formula
C25H21N3O2
SMILES
COC1=CC=C(C=C1)NC2=CC=C(C=C2)NC3=CC=C(C=C3)N=C4C=CC(=O)C=C4
InChI
InChI=1S/C25H21N3O2/c1-30-25-16-12-23(13-17-25)28-21-8-4-19(5-9-21)26-18-2-6-20(7-3-18)27-22-10-14-24(29)15-11-22/h2-17,26,28H,1H3
InChIKey
SRHSAWJGTIRLRN-UHFFFAOYSA-N
Compound name
4-[4-[4-(4-methoxyanilino)anilino]phenyl]iminocyclohexa-2,5-dien-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

10
Patents

395.1634 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 396.17068 194.6
[M+Na]+ 418.15262 199.7
[M-H]- 394.15612 208.0
[M+NH4]+ 413.19722 204.3
[M+K]+ 434.12656 193.5
[M+H-H2O]+ 378.16066 182.4
[M+HCOO]- 440.16160 221.2
[M+CH3COO]- 454.17725 204.2
[M+Na-2H]- 416.13807 199.7
[M]+ 395.16285 193.1
[M]- 395.16395 193.1
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