CID 3073646

151327-12-7

Structural Information

Molecular Formula
C23H22N8
SMILES
CCCC1=NC2=CC=NN2C(=C1CC3=CC=C(C=C3)C4=CC=CC=C4C5=NNN=N5)N
InChI
InChI=1S/C23H22N8/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,2,5,14,24H2,1H3,(H,27,28,29,30)
InChIKey
YNQMEWUGNXUQCV-UHFFFAOYSA-N
Compound name
5-propyl-6-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]pyrazolo[1,5-a]pyrimidin-7-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

410.19675 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 411.20403 198.6
[M+Na]+ 433.18597 208.9
[M-H]- 409.18947 203.7
[M+NH4]+ 428.23057 202.8
[M+K]+ 449.15991 198.3
[M+H-H2O]+ 393.19401 185.4
[M+HCOO]- 455.19495 214.2
[M+CH3COO]- 469.21060 206.2
[M+Na-2H]- 431.17142 199.8
[M]+ 410.19620 199.4
[M]- 410.19730 199.4
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