CID 3073642

151327-07-0

Structural Information

Molecular Formula
C23H20ClN7
SMILES
CCCC1=NC2=CC=NN2C(=C1CC3=CC=C(C=C3)C4=CC=CC=C4C5=NNN=N5)Cl
InChI
InChI=1S/C23H20ClN7/c1-2-5-20-19(22(24)31-21(26-20)12-13-25-31)14-15-8-10-16(11-9-15)17-6-3-4-7-18(17)23-27-29-30-28-23/h3-4,6-13H,2,5,14H2,1H3,(H,27,28,29,30)
InChIKey
TXKVGHLYOXKZDO-UHFFFAOYSA-N
Compound name
7-chloro-5-propyl-6-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]pyrazolo[1,5-a]pyrimidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

429.14688 Da
Monoisotopic Mass

5.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 430.15416 202.8
[M+Na]+ 452.13610 214.3
[M-H]- 428.13960 207.3
[M+NH4]+ 447.18070 207.4
[M+K]+ 468.11004 203.1
[M+H-H2O]+ 412.14414 188.5
[M+HCOO]- 474.14508 212.9
[M+CH3COO]- 488.16073 210.2
[M+Na-2H]- 450.12155 202.7
[M]+ 429.14633 206.6
[M]- 429.14743 206.6
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