CID 7061944

2,7-dimethyl-3-phenylpyrazolo[1,5-a]pyrimidine-5-carboxylic acid

Structural Information

Molecular Formula
C15H13N3O2
SMILES
CC1=CC(=NC2=C(C(=NN12)C)C3=CC=CC=C3)C(=O)O
InChI
InChI=1S/C15H13N3O2/c1-9-8-12(15(19)20)16-14-13(10(2)17-18(9)14)11-6-4-3-5-7-11/h3-8H,1-2H3,(H,19,20)
InChIKey
FAMCLLZNSYFZQT-UHFFFAOYSA-N
Compound name
2,7-dimethyl-3-phenylpyrazolo[1,5-a]pyrimidine-5-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

5
Patents

267.10077 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 268.10805 160.4
[M+Na]+ 290.08999 176.0
[M+NH4]+ 285.13459 167.5
[M+K]+ 306.06393 171.2
[M-H]- 266.09349 162.7
[M+Na-2H]- 288.07544 167.9
[M]+ 267.10022 163.2
[M]- 267.10132 163.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

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