CID 15958222

Schembl14015064

Structural Information

Molecular Formula
C24H23N3O4
SMILES
CC(C)CC1=C(N=C2C(=CNN2C1=O)C(=O)O)C3=CC=C(C=C3)OCC4=CC=CC=C4
InChI
InChI=1S/C24H23N3O4/c1-15(2)12-19-21(26-22-20(24(29)30)13-25-27(22)23(19)28)17-8-10-18(11-9-17)31-14-16-6-4-3-5-7-16/h3-11,13,15,25H,12,14H2,1-2H3,(H,29,30)
InChIKey
ATUVQOBIGAXUDH-UHFFFAOYSA-N
Compound name
6-(2-methylpropyl)-7-oxo-5-(4-phenylmethoxyphenyl)-1H-pyrazolo[1,5-a]pyrimidine-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

417.16885 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 418.17613 200.5
[M+Na]+ 440.15807 208.6
[M-H]- 416.16157 205.7
[M+NH4]+ 435.20267 207.6
[M+K]+ 456.13201 201.8
[M+H-H2O]+ 400.16611 189.7
[M+HCOO]- 462.16705 216.4
[M+CH3COO]- 476.18270 208.7
[M+Na-2H]- 438.14352 200.2
[M]+ 417.16830 203.9
[M]- 417.16940 203.9
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

patents stripe