CID 2006

Acitazanolast

Structural Information

Molecular Formula
C9H7N5O3
SMILES
C1=CC(=CC(=C1)NC(=O)C(=O)O)C2=NNN=N2
InChI
InChI=1S/C9H7N5O3/c15-8(9(16)17)10-6-3-1-2-5(4-6)7-11-13-14-12-7/h1-4H,(H,10,15)(H,16,17)(H,11,12,13,14)
InChIKey
VWQZJJZGISNFOE-UHFFFAOYSA-N
Compound name
2-oxo-2-[3-(2H-tetrazol-5-yl)anilino]acetic acid
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

84
References

1211
Patents

233.05489 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 234.06217 148.2
[M+Na]+ 256.04411 155.8
[M-H]- 232.04761 147.9
[M+NH4]+ 251.08871 160.1
[M+K]+ 272.01805 152.4
[M+H-H2O]+ 216.05215 138.9
[M+HCOO]- 278.05309 166.8
[M+CH3COO]- 292.06874 184.5
[M+Na-2H]- 254.02956 153.0
[M]+ 233.05434 145.7
[M]- 233.05544 145.7
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