CID 135408956

Nsc649559

Structural Information

Molecular Formula
C19H17N5O4
SMILES
CC1=CC=C(C=C1)NC(=O)C(=NNC(=O)N)C2=C(C3=CC=CC=C3NC2=O)O
InChI
InChI=1S/C19H17N5O4/c1-10-6-8-11(9-7-10)21-18(27)15(23-24-19(20)28)14-16(25)12-4-2-3-5-13(12)22-17(14)26/h2-9H,1H3,(H,21,27)(H3,20,24,28)(H2,22,25,26)
InChIKey
UUYXPKKUOPYIBX-UHFFFAOYSA-N
Compound name
2-(carbamoylhydrazinylidene)-2-(4-hydroxy-2-oxo-1H-quinolin-3-yl)-N-(4-methylphenyl)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

379.12805 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 380.13533 185.4
[M+Na]+ 402.11727 190.6
[M-H]- 378.12077 190.3
[M+NH4]+ 397.16187 194.2
[M+K]+ 418.09121 186.5
[M+H-H2O]+ 362.12531 175.8
[M+HCOO]- 424.12625 206.8
[M+CH3COO]- 438.14190 227.4
[M+Na-2H]- 400.10272 188.9
[M]+ 379.12750 182.5
[M]- 379.12860 182.5
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.