CID 15958042

Schembl14014692

Structural Information

Molecular Formula
C19H19N7O
SMILES
C1CCC(CC1)C2=C(C=NC3=C(C=NN23)C4=NNN=N4)C5=CC=C(C=C5)O
InChI
InChI=1S/C19H19N7O/c27-14-8-6-12(7-9-14)15-10-20-19-16(18-22-24-25-23-18)11-21-26(19)17(15)13-4-2-1-3-5-13/h6-11,13,27H,1-5H2,(H,22,23,24,25)
InChIKey
SLIUOZAOFWQTRF-UHFFFAOYSA-N
Compound name
4-[7-cyclohexyl-3-(2H-tetrazol-5-yl)pyrazolo[1,5-a]pyrimidin-6-yl]phenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

361.1651 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 362.17238 184.7
[M+Na]+ 384.15432 193.2
[M-H]- 360.15782 187.9
[M+NH4]+ 379.19892 190.1
[M+K]+ 400.12826 184.4
[M+H-H2O]+ 344.16236 171.8
[M+HCOO]- 406.16330 195.9
[M+CH3COO]- 420.17895 192.0
[M+Na-2H]- 382.13977 184.9
[M]+ 361.16455 180.9
[M]- 361.16565 180.9
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