CID 25255436

Asb-16165

Structural Information

Molecular Formula
C23H29N5O2S
SMILES
CC1=NN(C2=C1C=C(S2)C(=O)NC3=CN=C(C=C3)N4CCC(CC4)O)C5CCCCC5
InChI
InChI=1S/C23H29N5O2S/c1-15-19-13-20(31-23(19)28(26-15)17-5-3-2-4-6-17)22(30)25-16-7-8-21(24-14-16)27-11-9-18(29)10-12-27/h7-8,13-14,17-18,29H,2-6,9-12H2,1H3,(H,25,30)
InChIKey
NFWMSIMJLJHZPQ-UHFFFAOYSA-N
Compound name
1-cyclohexyl-N-[6-(4-hydroxypiperidin-1-yl)pyridin-3-yl]-3-methylthieno[2,3-c]pyrazole-5-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

5
References

45
Patents

439.2042 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 440.21148 201.6
[M+Na]+ 462.19342 212.4
[M+NH4]+ 457.23802 208.1
[M+K]+ 478.16736 207.9
[M-H]- 438.19692 207.1
[M+Na-2H]- 460.17887 207.3
[M]+ 439.20365 204.9
[M]- 439.20475 204.9
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