CID 105255

Benzoic acid, 2-amino-5-((4-amino-3-methoxyphenyl)methyl)-, methyl ester

Structural Information

Molecular Formula
C16H18N2O3
SMILES
COC1=C(C=CC(=C1)CC2=CC(=C(C=C2)N)C(=O)OC)N
InChI
InChI=1S/C16H18N2O3/c1-20-15-9-11(4-6-14(15)18)7-10-3-5-13(17)12(8-10)16(19)21-2/h3-6,8-9H,7,17-18H2,1-2H3
InChIKey
BOBSHSYHQVONGD-UHFFFAOYSA-N
Compound name
methyl 2-amino-5-[(4-amino-3-methoxyphenyl)methyl]benzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

286.13174 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 287.13902 167.0
[M+Na]+ 309.12096 174.5
[M-H]- 285.12446 173.4
[M+NH4]+ 304.16556 181.9
[M+K]+ 325.09490 171.3
[M+H-H2O]+ 269.12900 158.8
[M+HCOO]- 331.12994 191.2
[M+CH3COO]- 345.14559 207.3
[M+Na-2H]- 307.10641 168.5
[M]+ 286.13119 167.8
[M]- 286.13229 167.8
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

No patent data available for this compound.