CID 12459815

2-methylpyrido[2',3':3,4]pyrazolo[1,5-a]pyrimidin-4(6h)-one

Structural Information

Molecular Formula
C10H8N4O
SMILES
CC1=CC(=O)N2C(=N1)C3=C(N2)N=CC=C3
InChI
InChI=1S/C10H8N4O/c1-6-5-8(15)14-10(12-6)7-3-2-4-11-9(7)13-14/h2-5H,1H3,(H,11,13)
InChIKey
KWEKICYQHOSHIU-UHFFFAOYSA-N
Compound name
4-methyl-3,7,8,10-tetrazatricyclo[7.4.0.02,7]trideca-1(9),2,4,10,12-pentaen-6-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

200.06981 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 201.07709 141.6
[M+Na]+ 223.05903 155.1
[M-H]- 199.06253 141.8
[M+NH4]+ 218.10363 159.2
[M+K]+ 239.03297 149.5
[M+H-H2O]+ 183.06707 133.4
[M+HCOO]- 245.06801 161.2
[M+CH3COO]- 259.08366 154.8
[M+Na-2H]- 221.04448 150.7
[M]+ 200.06926 143.8
[M]- 200.07036 143.8
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.