CID 3073637

151327-02-5

Structural Information

Molecular Formula
C23H21N7O
SMILES
CCCC1=C(C(=O)N2C(=N1)C=CN2)CC3=CC=C(C=C3)C4=CC=CC=C4C5=NNN=N5
InChI
InChI=1S/C23H21N7O/c1-2-5-20-19(23(31)30-21(25-20)12-13-24-30)14-15-8-10-16(11-9-15)17-6-3-4-7-18(17)22-26-28-29-27-22/h3-4,6-13,24H,2,5,14H2,1H3,(H,26,27,28,29)
InChIKey
GGUUKODYFCMXQJ-UHFFFAOYSA-N
Compound name
5-propyl-6-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]-1H-pyrazolo[1,5-a]pyrimidin-7-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

411.18076 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 412.188036 199.5
[M+Na]+ 434.169978 210.2
[M-H]- 410.173484 203.7
[M+NH4]+ 429.214583 203.4
[M+K]+ 450.143918 199.3
[M+H-H2O]+ 394.178020 186.6
[M+HCOO]- 456.178961 213.4
[M+CH3COO]- 470.194611 206.9
[M+Na-2H]- 432.155426 199.9
[M]+ 411.18021142 200.5
[M]- 411.18130858 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