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]+ 254.128776 157.5
[M+Na]+ 276.110718 168.7
[M-H]- 252.114224 160.7
[M+NH4]+ 271.155323 172.9
[M+K]+ 292.084658 162.1
[M+H-H2O]+ 236.118760 148.4
[M+HCOO]- 298.119701 178.3
[M+CH3COO]- 312.135351 169.7
[M+Na-2H]- 274.096166 163.4
[M]+ 253.12095142 159.4
[M]- 253.12204858 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.