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
3
Annotation Hits

0
References

58
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 157.7
[M+Na]+ 276.09950 164.3
[M-H]- 252.10300 165.6
[M+NH4]+ 271.14410 174.8
[M+K]+ 292.07344 161.2
[M+H-H2O]+ 236.10754 149.4
[M+HCOO]- 298.10848 183.8
[M+CH3COO]- 312.12413 198.5
[M+Na-2H]- 274.08495 163.6
[M]+ 253.10973 159.7
[M]- 253.11083 159.7
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