CID 104025

51947-52-5

Structural Information

Molecular Formula
C15H16N2O2
SMILES
COC(=O)C1=C(C=CC(=C1)CC2=CC=C(C=C2)N)N
InChI
InChI=1S/C15H16N2O2/c1-19-15(18)13-9-11(4-7-14(13)17)8-10-2-5-12(16)6-3-10/h2-7,9H,8,16-17H2,1H3
InChIKey
QEJNFWVQDMOATI-UHFFFAOYSA-N
Compound name
methyl 2-amino-5-[(4-aminophenyl)methyl]benzoate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

256.1212 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 257.12848 159.8
[M+Na]+ 279.11042 172.2
[M+NH4]+ 274.15502 167.4
[M+K]+ 295.08436 165.8
[M-H]- 255.11392 164.7
[M+Na-2H]- 277.09587 167.5
[M]+ 256.12065 162.8
[M]- 256.12175 162.8
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.