CID 54687091

Chembl241596

Structural Information

Molecular Formula
C17H12N4O6
SMILES
C1=CC=C2C(=C1)C(=C(C(=O)N2)C(=O)NNC(=O)C3=CC=CC=C3[N+](=O)[O-])O
InChI
InChI=1S/C17H12N4O6/c22-14-9-5-1-3-7-11(9)18-16(24)13(14)17(25)20-19-15(23)10-6-2-4-8-12(10)21(26)27/h1-8H,(H,19,23)(H,20,25)(H2,18,22,24)
InChIKey
TYYRCNXSLCGOHA-UHFFFAOYSA-N
Compound name
4-hydroxy-N'-(2-nitrobenzoyl)-2-oxo-1H-quinoline-3-carbohydrazide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

6
Patents

368.07568 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 369.08296 175.3
[M+Na]+ 391.06490 180.1
[M-H]- 367.06840 179.4
[M+NH4]+ 386.10950 183.6
[M+K]+ 407.03884 172.0
[M+H-H2O]+ 351.07294 170.6
[M+HCOO]- 413.07388 196.1
[M+CH3COO]- 427.08953 208.8
[M+Na-2H]- 389.05035 182.8
[M]+ 368.07513 171.8
[M]- 368.07623 171.8
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