CID 6871212

Opiniazide

Structural Information

Molecular Formula
C16H15N3O5
SMILES
COC1=C(C(=C(C=C1)/C=N/NC(=O)C2=CC=NC=C2)C(=O)O)OC
InChI
InChI=1S/C16H15N3O5/c1-23-12-4-3-11(13(16(21)22)14(12)24-2)9-18-19-15(20)10-5-7-17-8-6-10/h3-9H,1-2H3,(H,19,20)(H,21,22)/b18-9+
InChIKey
HSYFNANHKYNZNI-GIJQJNRQSA-N
Compound name
2,3-dimethoxy-6-[(E)-(pyridine-4-carbonylhydrazinylidene)methyl]benzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

26
References

11
Patents

329.10117 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 330.10845 173.2
[M+Na]+ 352.09039 179.6
[M-H]- 328.09389 179.0
[M+NH4]+ 347.13499 184.7
[M+K]+ 368.06433 177.6
[M+H-H2O]+ 312.09843 163.6
[M+HCOO]- 374.09937 197.2
[M+CH3COO]- 388.11502 213.0
[M+Na-2H]- 350.07584 176.9
[M]+ 329.10062 176.8
[M]- 329.10172 176.8
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