CID 53213480

1282957-29-2

Structural Information

Molecular Formula
C18H19N3O2
SMILES
CC1=CC(=CC=C1)C2=C3N=CC(=C(N3N=C2C)C(C)C)C(=O)O
InChI
InChI=1S/C18H19N3O2/c1-10(2)16-14(18(22)23)9-19-17-15(12(4)20-21(16)17)13-7-5-6-11(3)8-13/h5-10H,1-4H3,(H,22,23)
InChIKey
DJQFCXHOAIRFBE-UHFFFAOYSA-N
Compound name
2-methyl-3-(3-methylphenyl)-7-propan-2-ylpyrazolo[1,5-a]pyrimidine-6-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

309.14774 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 310.15502 174.0
[M+Na]+ 332.13696 184.7
[M-H]- 308.14046 177.9
[M+NH4]+ 327.18156 187.4
[M+K]+ 348.11090 179.4
[M+H-H2O]+ 292.14500 165.2
[M+HCOO]- 354.14594 192.0
[M+CH3COO]- 368.16159 207.8
[M+Na-2H]- 330.12241 174.8
[M]+ 309.14719 178.0
[M]- 309.14829 178.0
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.