CID 104025

Km9k7csx7e

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 159.2
[M+Na]+ 279.11042 166.5
[M-H]- 255.11392 165.5
[M+NH4]+ 274.15502 175.2
[M+K]+ 295.08436 162.7
[M+H-H2O]+ 239.11846 151.4
[M+HCOO]- 301.11940 183.7
[M+CH3COO]- 315.13505 200.8
[M+Na-2H]- 277.09587 162.0
[M]+ 256.12065 157.9
[M]- 256.12175 157.9
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.