CID 15957919

6,7-bis(4-methoxyphenyl)pyrazolo[1,5-a]pyrimidine-2-carboxylic acid

Structural Information

Molecular Formula
C21H17N3O4
SMILES
COC1=CC=C(C=C1)C2=C(N3C(=CC(=N3)C(=O)O)N=C2)C4=CC=C(C=C4)OC
InChI
InChI=1S/C21H17N3O4/c1-27-15-7-3-13(4-8-15)17-12-22-19-11-18(21(25)26)23-24(19)20(17)14-5-9-16(28-2)10-6-14/h3-12H,1-2H3,(H,25,26)
InChIKey
HUVNSUJTVPOBQK-UHFFFAOYSA-N
Compound name
6,7-bis(4-methoxyphenyl)pyrazolo[1,5-a]pyrimidine-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

375.12192 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 376.12920 188.2
[M+Na]+ 398.11114 198.4
[M-H]- 374.11464 195.2
[M+NH4]+ 393.15574 197.9
[M+K]+ 414.08508 192.8
[M+H-H2O]+ 358.11918 177.3
[M+HCOO]- 420.12012 207.5
[M+CH3COO]- 434.13577 198.6
[M+Na-2H]- 396.09659 190.9
[M]+ 375.12137 193.7
[M]- 375.12247 193.7
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