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]+ 310.155016 174.0
[M+Na]+ 332.136958 184.7
[M-H]- 308.140464 177.9
[M+NH4]+ 327.181563 187.4
[M+K]+ 348.110898 179.4
[M+H-H2O]+ 292.145000 165.2
[M+HCOO]- 354.145941 191.9
[M+CH3COO]- 368.161591 207.8
[M+Na-2H]- 330.122406 174.8
[M]+ 309.14719142 178.0
[M]- 309.14828858 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.