CID 15957925

Schembl14561672

Structural Information

Molecular Formula
C21H17N7O2
SMILES
COC1=CC=C(C=C1)C2=C(N3C(=C(C=N3)C4=NNN=N4)N=C2)C5=CC=C(C=C5)OC
InChI
InChI=1S/C21H17N7O2/c1-29-15-7-3-13(4-8-15)17-11-22-21-18(20-24-26-27-25-20)12-23-28(21)19(17)14-5-9-16(30-2)10-6-14/h3-12H,1-2H3,(H,24,25,26,27)
InChIKey
JTNJVWHWTQLGDT-UHFFFAOYSA-N
Compound name
6,7-bis(4-methoxyphenyl)-3-(2H-tetrazol-5-yl)pyrazolo[1,5-a]pyrimidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

399.14438 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 400.15166 193.8
[M+Na]+ 422.13360 205.2
[M-H]- 398.13710 199.5
[M+NH4]+ 417.17820 198.7
[M+K]+ 438.10754 196.7
[M+H-H2O]+ 382.14164 180.7
[M+HCOO]- 444.14258 209.7
[M+CH3COO]- 458.15823 202.4
[M+Na-2H]- 420.11905 195.7
[M]+ 399.14383 197.7
[M]- 399.14493 197.7
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