CID 108547

61318-58-9

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

6
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 199.4
[M+Na]+ 418.15262 215.3
[M+NH4]+ 413.19722 207.5
[M+K]+ 434.12656 204.5
[M-H]- 394.15612 210.5
[M+Na-2H]- 416.13807 212.8
[M]+ 395.16285 204.9
[M]- 395.16395 204.9
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