CID 15957946

Schembl14014454

Structural Information

Molecular Formula
C26H19N3O3
SMILES
COC(=O)C1=NN2C(=C1)N=CC(=C2C3=CC=CC=C3)C4=CC=C(C=C4)OC5=CC=CC=C5
InChI
InChI=1S/C26H19N3O3/c1-31-26(30)23-16-24-27-17-22(25(29(24)28-23)19-8-4-2-5-9-19)18-12-14-21(15-13-18)32-20-10-6-3-7-11-20/h2-17H,1H3
InChIKey
SHXVKVSXEFGFMT-UHFFFAOYSA-N
Compound name
methyl 6-(4-phenoxyphenyl)-7-phenylpyrazolo[1,5-a]pyrimidine-2-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

421.14264 Da
Monoisotopic Mass

5.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 422.14992 202.6
[M+Na]+ 444.13186 211.3
[M-H]- 420.13536 212.9
[M+NH4]+ 439.17646 210.0
[M+K]+ 460.10580 204.2
[M+H-H2O]+ 404.13990 189.3
[M+HCOO]- 466.14084 222.1
[M+CH3COO]- 480.15649 211.7
[M+Na-2H]- 442.11731 205.5
[M]+ 421.14209 206.3
[M]- 421.14319 206.3
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