CID 54685115

4-hydroxy-n'-(4-methylbenzoyl)-2-oxo-1-propyl-1,2-dihydro-3-quinolinecarbohydrazide

Structural Information

Molecular Formula
C21H21N3O4
SMILES
CCCN1C2=CC=CC=C2C(=C(C1=O)C(=O)NNC(=O)C3=CC=C(C=C3)C)O
InChI
InChI=1S/C21H21N3O4/c1-3-12-24-16-7-5-4-6-15(16)18(25)17(21(24)28)20(27)23-22-19(26)14-10-8-13(2)9-11-14/h4-11,25H,3,12H2,1-2H3,(H,22,26)(H,23,27)
InChIKey
OBUVXCOCHMOFHL-UHFFFAOYSA-N
Compound name
4-hydroxy-N'-(4-methylbenzoyl)-2-oxo-1-propylquinoline-3-carbohydrazide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

379.1532 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 380.16048 190.0
[M+Na]+ 402.14242 197.0
[M-H]- 378.14592 195.4
[M+NH4]+ 397.18702 200.3
[M+K]+ 418.11636 192.2
[M+H-H2O]+ 362.15046 180.4
[M+HCOO]- 424.15140 210.1
[M+CH3COO]- 438.16705 223.5
[M+Na-2H]- 400.12787 192.4
[M]+ 379.15265 191.6
[M]- 379.15375 191.6
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

patents stripe