CID 338945

Nsc363801

Structural Information

Molecular Formula
C15H15N3O
SMILES
CC1=C(C(=O)N2C(=N1)C=CN2)CCC3=CC=CC=C3
InChI
InChI=1S/C15H15N3O/c1-11-13(8-7-12-5-3-2-4-6-12)15(19)18-14(17-11)9-10-16-18/h2-6,9-10,16H,7-8H2,1H3
InChIKey
LUTCZHDJICQTFT-UHFFFAOYSA-N
Compound name
5-methyl-6-(2-phenylethyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

253.1215 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 254.12878 157.5
[M+Na]+ 276.11072 168.7
[M-H]- 252.11422 160.7
[M+NH4]+ 271.15532 172.9
[M+K]+ 292.08466 162.1
[M+H-H2O]+ 236.11876 148.4
[M+HCOO]- 298.11970 178.3
[M+CH3COO]- 312.13535 169.7
[M+Na-2H]- 274.09617 163.4
[M]+ 253.12095 159.4
[M]- 253.12205 159.4
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.