CID 15958043

Schembl4707691

Structural Information

Molecular Formula
C25H26N4O
SMILES
C1CCC(CC1)C2=C(C=NC3=C(C=NN23)N)C4=CC=C(C=C4)OCC5=CC=CC=C5
InChI
InChI=1S/C25H26N4O/c26-23-16-28-29-24(20-9-5-2-6-10-20)22(15-27-25(23)29)19-11-13-21(14-12-19)30-17-18-7-3-1-4-8-18/h1,3-4,7-8,11-16,20H,2,5-6,9-10,17,26H2
InChIKey
PUGZXCYHRQRTBZ-UHFFFAOYSA-N
Compound name
7-cyclohexyl-6-(4-phenylmethoxyphenyl)pyrazolo[1,5-a]pyrimidin-3-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

13
Patents

398.21066 Da
Monoisotopic Mass

4.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 399.21794 196.8
[M+Na]+ 421.19988 202.7
[M-H]- 397.20338 205.3
[M+NH4]+ 416.24448 204.8
[M+K]+ 437.17382 194.4
[M+H-H2O]+ 381.20792 183.6
[M+HCOO]- 443.20886 213.7
[M+CH3COO]- 457.22451 204.6
[M+Na-2H]- 419.18533 198.3
[M]+ 398.21011 193.5
[M]- 398.21121 193.5
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