CID 3229907

841253-81-4

Structural Information

Molecular Formula
C20H23ClN4O
SMILES
CC1=NC2=CC(=NN2C(=C1)N3CCCCC3CCO)C4=CC=C(C=C4)Cl
InChI
InChI=1S/C20H23ClN4O/c1-14-12-20(24-10-3-2-4-17(24)9-11-26)25-19(22-14)13-18(23-25)15-5-7-16(21)8-6-15/h5-8,12-13,17,26H,2-4,9-11H2,1H3
InChIKey
TZWSGOPCLUTFBZ-UHFFFAOYSA-N
Compound name
2-[1-[2-(4-chlorophenyl)-5-methylpyrazolo[1,5-a]pyrimidin-7-yl]piperidin-2-yl]ethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

5
References

11
Patents

370.15604 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 371.16332 189.8
[M+Na]+ 393.14526 206.4
[M+NH4]+ 388.18986 197.4
[M+K]+ 409.11920 198.8
[M-H]- 369.14876 194.4
[M+Na-2H]- 391.13071 197.5
[M]+ 370.15549 193.9
[M]- 370.15659 193.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe