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

22
Patents

239.09464 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 240.10192 153.0
[M+Na]+ 262.08386 160.1
[M-H]- 238.08736 161.1
[M+NH4]+ 257.12846 170.7
[M+K]+ 278.05780 157.2
[M+H-H2O]+ 222.09190 145.0
[M+HCOO]- 284.09284 179.5
[M+CH3COO]- 298.10849 195.5
[M+Na-2H]- 260.06931 159.5
[M]+ 239.09409 154.6
[M]- 239.09519 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