CID 162275

Methyl n-benzylidene-2-aminobenzoate

Structural Information

Molecular Formula
C15H13NO2
SMILES
COC(=O)C1=CC=CC=C1N=CC2=CC=CC=C2
InChI
InChI=1S/C15H13NO2/c1-18-15(17)13-9-5-6-10-14(13)16-11-12-7-3-2-4-8-12/h2-11H,1H3
InChIKey
ZCFRWOFFFLZLDU-UHFFFAOYSA-N
Compound name
methyl 2-(benzylideneamino)benzoate
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

24
Patents

239.09464 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 240.101916 153.0
[M+Na]+ 262.083858 160.1
[M-H]- 238.087364 161.1
[M+NH4]+ 257.128463 170.7
[M+K]+ 278.057798 157.2
[M+H-H2O]+ 222.091900 145.0
[M+HCOO]- 284.092841 179.5
[M+CH3COO]- 298.108491 195.5
[M+Na-2H]- 260.069306 159.5
[M]+ 239.09409142 154.6
[M]- 239.09518858 154.6
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