CID 15958067

Schembl4708928

Structural Information

Molecular Formula
C11H13N7
SMILES
CC1=C(N2C(=C(C=N2)C3=NNN=N3)N=C1)C(C)C
InChI
InChI=1S/C11H13N7/c1-6(2)9-7(3)4-12-11-8(5-13-18(9)11)10-14-16-17-15-10/h4-6H,1-3H3,(H,14,15,16,17)
InChIKey
DRVMBMXXNQICFO-UHFFFAOYSA-N
Compound name
6-methyl-7-propan-2-yl-3-(2H-tetrazol-5-yl)pyrazolo[1,5-a]pyrimidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

13
Patents

243.12325 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 244.13053 157.1
[M+Na]+ 266.11247 169.4
[M-H]- 242.11597 156.3
[M+NH4]+ 261.15707 169.3
[M+K]+ 282.08641 164.1
[M+H-H2O]+ 226.12051 146.8
[M+HCOO]- 288.12145 173.2
[M+CH3COO]- 302.13710 168.0
[M+Na-2H]- 264.09792 160.2
[M]+ 243.12270 159.3
[M]- 243.12380 159.3
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