CID 601897

N-phenyl-benzimidic acid phenyl ester

Structural Information

Molecular Formula
C19H15NO
SMILES
C1=CC=C(C=C1)C(=NC2=CC=CC=C2)OC3=CC=CC=C3
InChI
InChI=1S/C19H15NO/c1-4-10-16(11-5-1)19(20-17-12-6-2-7-13-17)21-18-14-8-3-9-15-18/h1-15H
InChIKey
TYLYJDCHOAMDJM-UHFFFAOYSA-N
Compound name
phenyl N-phenylbenzenecarboximidate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

273.11536 Da
Monoisotopic Mass

5.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 274.12264 163.5
[M+Na]+ 296.10458 168.8
[M-H]- 272.10808 173.8
[M+NH4]+ 291.14918 178.8
[M+K]+ 312.07852 164.3
[M+H-H2O]+ 256.11262 153.8
[M+HCOO]- 318.11356 189.3
[M+CH3COO]- 332.12921 175.3
[M+Na-2H]- 294.09003 170.9
[M]+ 273.11481 162.5
[M]- 273.11591 162.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe