CID 105594

Methyl 2-((2-phenylethylidene)amino)benzoate

Structural Information

Molecular Formula
C16H15NO2
SMILES
COC(=O)C1=CC=CC=C1N=CCC2=CC=CC=C2
InChI
InChI=1S/C16H15NO2/c1-19-16(18)14-9-5-6-10-15(14)17-12-11-13-7-3-2-4-8-13/h2-10,12H,11H2,1H3
InChIKey
UTUBQSIVMXUACR-UHFFFAOYSA-N
Compound name
methyl 2-(2-phenylethylideneamino)benzoate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

55
Patents

253.11028 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 254.11756 158.8
[M+Na]+ 276.09950 172.8
[M+NH4]+ 271.14410 167.2
[M+K]+ 292.07344 164.5
[M-H]- 252.10300 164.0
[M+Na-2H]- 274.08495 168.6
[M]+ 253.10973 162.2
[M]- 253.11083 162.2
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