CID 54679547

Schembl6720275

Structural Information

Molecular Formula
C17H12ClN3O4
SMILES
C1=CC=C2C(=C1)C(=C(C(=O)N2)C(=O)NNC(=O)C3=CC=CC=C3Cl)O
InChI
InChI=1S/C17H12ClN3O4/c18-11-7-3-1-5-9(11)15(23)20-21-17(25)13-14(22)10-6-2-4-8-12(10)19-16(13)24/h1-8H,(H,20,23)(H,21,25)(H2,19,22,24)
InChIKey
USONVECUFAHYGU-UHFFFAOYSA-N
Compound name
N'-(2-chlorobenzoyl)-4-hydroxy-2-oxo-1H-quinoline-3-carbohydrazide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

3
Patents

357.05164 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 358.05892 176.9
[M+Na]+ 380.04086 185.2
[M-H]- 356.04436 181.2
[M+NH4]+ 375.08546 188.2
[M+K]+ 396.01480 179.0
[M+H-H2O]+ 340.04890 169.3
[M+HCOO]- 402.04984 192.6
[M+CH3COO]- 416.06549 211.8
[M+Na-2H]- 378.02631 181.5
[M]+ 357.05109 177.6
[M]- 357.05219 177.6
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.