CID 251142

Methyl 2-(benzylamino)benzoate

Structural Information

Molecular Formula
C15H15NO2
SMILES
COC(=O)C1=CC=CC=C1NCC2=CC=CC=C2
InChI
InChI=1S/C15H15NO2/c1-18-15(17)13-9-5-6-10-14(13)16-11-12-7-3-2-4-8-12/h2-10,16H,11H2,1H3
InChIKey
PNCJBJQLNOUGJI-UHFFFAOYSA-N
Compound name
methyl 2-(benzylamino)benzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

9
Patents

241.11028 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 242.117556 154.2
[M+Na]+ 264.099498 160.5
[M-H]- 240.103004 160.8
[M+NH4]+ 259.144103 171.1
[M+K]+ 280.073438 157.3
[M+H-H2O]+ 224.107540 146.4
[M+HCOO]- 286.108481 179.0
[M+CH3COO]- 300.124131 194.5
[M+Na-2H]- 262.084946 160.2
[M]+ 241.10973142 154.8
[M]- 241.11082858 154.8
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