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

literature stripe

Patent stripe

patents stripe