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

literature stripe

Patent stripe

patents stripe