CID 15957920

Schembl14014384

Structural Information

Molecular Formula
C19H13N7
SMILES
C1=CC=C(C=C1)C2=C(N3C(=C(C=N3)C4=NNN=N4)N=C2)C5=CC=CC=C5
InChI
InChI=1S/C19H13N7/c1-3-7-13(8-4-1)15-11-20-19-16(18-22-24-25-23-18)12-21-26(19)17(15)14-9-5-2-6-10-14/h1-12H,(H,22,23,24,25)
InChIKey
PBXQLGDGZVKLIJ-UHFFFAOYSA-N
Compound name
6,7-diphenyl-3-(2H-tetrazol-5-yl)pyrazolo[1,5-a]pyrimidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

339.12323 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 340.13051 177.8
[M+Na]+ 362.11245 189.0
[M-H]- 338.11595 182.8
[M+NH4]+ 357.15705 184.7
[M+K]+ 378.08639 179.5
[M+H-H2O]+ 322.12049 164.7
[M+HCOO]- 384.12143 194.2
[M+CH3COO]- 398.13708 187.0
[M+Na-2H]- 360.09790 182.1
[M]+ 339.12268 177.8
[M]- 339.12378 177.8
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