CID 15958066

Chembl572291

Structural Information

Molecular Formula
C23H19N7O
SMILES
C1CC1C2=C(C=NC3=C(C=NN23)C4=NNN=N4)C5=CC=C(C=C5)OCC6=CC=CC=C6
InChI
InChI=1S/C23H19N7O/c1-2-4-15(5-3-1)14-31-18-10-8-16(9-11-18)19-12-24-23-20(22-26-28-29-27-22)13-25-30(23)21(19)17-6-7-17/h1-5,8-13,17H,6-7,14H2,(H,26,27,28,29)
InChIKey
LIWQYEOQOZSQCH-UHFFFAOYSA-N
Compound name
7-cyclopropyl-6-(4-phenylmethoxyphenyl)-3-(2H-tetrazol-5-yl)pyrazolo[1,5-a]pyrimidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

5
Patents

409.1651 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 410.17238 207.8
[M+Na]+ 432.15432 219.3
[M-H]- 408.15782 215.0
[M+NH4]+ 427.19892 207.6
[M+K]+ 448.12826 208.1
[M+H-H2O]+ 392.16236 195.3
[M+HCOO]- 454.16330 223.8
[M+CH3COO]- 468.17895 214.6
[M+Na-2H]- 430.13977 207.9
[M]+ 409.16455 210.6
[M]- 409.16565 210.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe