CID 111167

2,5-cyclohexadien-1-one, 4-[[4-(phenylamino)phenyl]imino]-

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 161.7
[M+Na]+ 297.09985 168.1
[M-H]- 273.10335 172.5
[M+NH4]+ 292.14445 177.2
[M+K]+ 313.07379 162.9
[M+H-H2O]+ 257.10789 152.2
[M+HCOO]- 319.10883 188.8
[M+CH3COO]- 333.12448 173.9
[M+Na-2H]- 295.08530 169.0
[M]+ 274.11008 159.2
[M]- 274.11118 159.2
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