CID 387157

Nsc680671

Structural Information

Molecular Formula
C12H14N4O3
SMILES
CC1=C(N=C(NC1=O)N2C(=O)C3=C(N2)CCCC3)O
InChI
InChI=1S/C12H14N4O3/c1-6-9(17)13-12(14-10(6)18)16-11(19)7-4-2-3-5-8(7)15-16/h15H,2-5H2,1H3,(H2,13,14,17,18)
InChIKey
ZWUAOCOMXQUBOG-UHFFFAOYSA-N
Compound name
2-(4-hydroxy-5-methyl-6-oxo-1H-pyrimidin-2-yl)-4,5,6,7-tetrahydro-1H-indazol-3-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

262.1066 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 263.11388 160.3
[M+Na]+ 285.09582 170.6
[M-H]- 261.09932 159.8
[M+NH4]+ 280.14042 172.7
[M+K]+ 301.06976 164.2
[M+H-H2O]+ 245.10386 152.0
[M+HCOO]- 307.10480 174.0
[M+CH3COO]- 321.12045 170.4
[M+Na-2H]- 283.08127 162.4
[M]+ 262.10605 156.9
[M]- 262.10715 156.9
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.