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 199.5
[M+Na]+ 434.16998 210.2
[M-H]- 410.17348 203.7
[M+NH4]+ 429.21458 203.4
[M+K]+ 450.14392 199.3
[M+H-H2O]+ 394.17802 186.6
[M+HCOO]- 456.17896 213.4
[M+CH3COO]- 470.19461 206.9
[M+Na-2H]- 432.15543 199.9
[M]+ 411.18021 200.5
[M]- 411.18131 200.5
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