CID 135408193

Nsc666115

Structural Information

Molecular Formula
C13H10N4O3
SMILES
CC1=CC2=C(C=C1)NC(=O)C(=C2O)C3=NNC(=O)N=C3
InChI
InChI=1S/C13H10N4O3/c1-6-2-3-8-7(4-6)11(18)10(12(19)15-8)9-5-14-13(20)17-16-9/h2-5H,1H3,(H,14,17,20)(H2,15,18,19)
InChIKey
DRJWMQHFKFQSJE-UHFFFAOYSA-N
Compound name
4-hydroxy-6-methyl-3-(3-oxo-2H-1,2,4-triazin-6-yl)-1H-quinolin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

270.0753 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 271.08258 162.5
[M+Na]+ 293.06452 174.5
[M-H]- 269.06802 162.3
[M+NH4]+ 288.10912 172.7
[M+K]+ 309.03846 167.0
[M+H-H2O]+ 253.07256 153.2
[M+HCOO]- 315.07350 177.7
[M+CH3COO]- 329.08915 172.8
[M+Na-2H]- 291.04997 169.0
[M]+ 270.07475 161.3
[M]- 270.07585 161.3
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.