CID 15188246

65567-29-5

Structural Information

Molecular Formula
C10H11ClN2O4
SMILES
COC1=CC(=C(C=C1C(=O)NCC(=O)O)Cl)N
InChI
InChI=1S/C10H11ClN2O4/c1-17-8-3-7(12)6(11)2-5(8)10(16)13-4-9(14)15/h2-3H,4,12H2,1H3,(H,13,16)(H,14,15)
InChIKey
LNQXFAOBVQSPCZ-UHFFFAOYSA-N
Compound name
2-[(4-amino-5-chloro-2-methoxybenzoyl)amino]acetic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

6
Patents

258.04074 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 259.04802 152.9
[M+Na]+ 281.02996 161.0
[M-H]- 257.03346 155.4
[M+NH4]+ 276.07456 169.4
[M+K]+ 297.00390 157.8
[M+H-H2O]+ 241.03800 147.7
[M+HCOO]- 303.03894 171.8
[M+CH3COO]- 317.05459 196.5
[M+Na-2H]- 279.01541 154.6
[M]+ 258.04019 155.0
[M]- 258.04129 155.0
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.