CID 15958013

3-(3-bromo-7-cyclohexyl-pyrazolo[1,5-a]pyrimidin-6-yl)phenol

Structural Information

Molecular Formula
C18H18BrN3O
SMILES
C1CCC(CC1)C2=C(C=NC3=C(C=NN23)Br)C4=CC(=CC=C4)O
InChI
InChI=1S/C18H18BrN3O/c19-16-11-21-22-17(12-5-2-1-3-6-12)15(10-20-18(16)22)13-7-4-8-14(23)9-13/h4,7-12,23H,1-3,5-6H2
InChIKey
DHLCZORTACMXSI-UHFFFAOYSA-N
Compound name
3-(3-bromo-7-cyclohexylpyrazolo[1,5-a]pyrimidin-6-yl)phenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

371.06332 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 372.07060 180.8
[M+Na]+ 394.05254 191.7
[M-H]- 370.05604 188.8
[M+NH4]+ 389.09714 194.9
[M+K]+ 410.02648 178.5
[M+H-H2O]+ 354.06058 178.0
[M+HCOO]- 416.06152 195.5
[M+CH3COO]- 430.07717 192.3
[M+Na-2H]- 392.03799 184.4
[M]+ 371.06277 196.8
[M]- 371.06387 196.8
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

No patent data available for this compound.