CID 54680876

Dtxsid801124235

Structural Information

Molecular Formula
C16H19N3O4
SMILES
CCCCC(=O)NNC(=O)C1=C(C2=CC=CC=C2N(C1=O)C)O
InChI
InChI=1S/C16H19N3O4/c1-3-4-9-12(20)17-18-15(22)13-14(21)10-7-5-6-8-11(10)19(2)16(13)23/h5-8,21H,3-4,9H2,1-2H3,(H,17,20)(H,18,22)
InChIKey
YAMIADXFCQNZAC-UHFFFAOYSA-N
Compound name
4-hydroxy-1-methyl-2-oxo-N'-pentanoylquinoline-3-carbohydrazide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

317.13754 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 318.14482 172.6
[M+Na]+ 340.12676 179.8
[M-H]- 316.13026 174.8
[M+NH4]+ 335.17136 185.9
[M+K]+ 356.10070 176.4
[M+H-H2O]+ 300.13480 164.7
[M+HCOO]- 362.13574 193.2
[M+CH3COO]- 376.15139 211.1
[M+Na-2H]- 338.11221 175.7
[M]+ 317.13699 174.6
[M]- 317.13809 174.6
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.