CID 9574269

4phnphcon2 phch

Structural Information

Molecular Formula
C20H17N3O
SMILES
C1=CC=C(C=C1)/C=N/NC(=O)C2=CC=C(C=C2)NC3=CC=CC=C3
InChI
InChI=1S/C20H17N3O/c24-20(23-21-15-16-7-3-1-4-8-16)17-11-13-19(14-12-17)22-18-9-5-2-6-10-18/h1-15,22H,(H,23,24)/b21-15+
InChIKey
UUMWMKKWRGOUFU-RCCKNPSSSA-N
Compound name
4-anilino-N-[(E)-benzylideneamino]benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

315.13718 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 316.14446 173.0
[M+Na]+ 338.12640 177.3
[M-H]- 314.12990 183.3
[M+NH4]+ 333.17100 186.0
[M+K]+ 354.10034 172.1
[M+H-H2O]+ 298.13444 162.6
[M+HCOO]- 360.13538 200.6
[M+CH3COO]- 374.15103 214.5
[M+Na-2H]- 336.11185 180.3
[M]+ 315.13663 170.8
[M]- 315.13773 170.8
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

No patent data available for this compound.