CID 135715006

167375-22-6

Structural Information

Molecular Formula
C23H21N7O
SMILES
CCCC1=C(C(=O)NC2=CC=NN21)CC3=CC=C(C=C3)C4=CC=CC=C4C5=NNN=N5
InChI
InChI=1S/C23H21N7O/c1-2-5-20-19(23(31)25-21-12-13-24-30(20)21)14-15-8-10-16(11-9-15)17-6-3-4-7-18(17)22-26-28-29-27-22/h3-4,6-13H,2,5,14H2,1H3,(H,25,31)(H,26,27,28,29)
InChIKey
PZDOCGHFQDOGOS-UHFFFAOYSA-N
Compound name
7-propyl-6-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]-4H-pyrazolo[1,5-a]pyrimidin-5-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

411.18076 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 412.18804 198.9
[M+Na]+ 434.16998 216.1
[M+NH4]+ 429.21458 203.6
[M+K]+ 450.14392 211.8
[M-H]- 410.17348 202.8
[M+Na-2H]- 432.15543 208.4
[M]+ 411.18021 202.4
[M]- 411.18131 202.4
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