CID 111167

6201-64-5

Structural Information

Molecular Formula
C18H14N2O
SMILES
C1=CC=C(C=C1)NC2=CC=C(C=C2)N=C3C=CC(=O)C=C3
InChI
InChI=1S/C18H14N2O/c21-18-12-10-17(11-13-18)20-16-8-6-15(7-9-16)19-14-4-2-1-3-5-14/h1-13,19H
InChIKey
AXFULXCACQCXKF-UHFFFAOYSA-N
Compound name
4-(4-anilinophenyl)iminocyclohexa-2,5-dien-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

274.11063 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 275.11791 164.9
[M+Na]+ 297.09985 180.5
[M+NH4]+ 292.14445 174.3
[M+K]+ 313.07379 170.6
[M-H]- 273.10335 173.7
[M+Na-2H]- 295.08530 177.6
[M]+ 274.11008 169.7
[M]- 274.11118 169.7
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