CID 3074887

167375-26-0

Structural Information

Molecular Formula
C26H27N7
SMILES
CCCC1=C(C(=NC2=CC=NN21)CCC)CC3=CC=C(C=C3)C4=CC=CC=C4C5=NNN=N5
InChI
InChI=1S/C26H27N7/c1-3-7-23-22(24(8-4-2)33-25(28-23)15-16-27-33)17-18-11-13-19(14-12-18)20-9-5-6-10-21(20)26-29-31-32-30-26/h5-6,9-16H,3-4,7-8,17H2,1-2H3,(H,29,30,31,32)
InChIKey
XCYJKTHBHIRGPF-UHFFFAOYSA-N
Compound name
5,7-dipropyl-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

1
Patents

437.2328 Da
Monoisotopic Mass

5.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 438.24008 209.5
[M+Na]+ 460.22202 219.1
[M-H]- 436.22552 214.1
[M+NH4]+ 455.26662 213.0
[M+K]+ 476.19596 208.2
[M+H-H2O]+ 420.23006 195.4
[M+HCOO]- 482.23100 223.4
[M+CH3COO]- 496.24665 216.2
[M+Na-2H]- 458.20747 208.5
[M]+ 437.23225 212.3
[M]- 437.23335 212.3
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