CID 168664691

N-[2-[1-[4-(4-chlorophenyl)thiazol-2-yl]cyclobutyl]ethyl]-3-(1-methylsulfonylcyclopropyl)pyrazole-1-carboxamide

Structural Information

Molecular Formula
C23H25ClN4O3S2
SMILES
CS(=O)(=O)C1(CC1)C2=NN(C=C2)C(=O)NCCC3(CCC3)C4=NC(=CS4)C5=CC=C(C=C5)Cl
InChI
InChI=1S/C23H25ClN4O3S2/c1-33(30,31)23(10-11-23)19-7-14-28(27-19)21(29)25-13-12-22(8-2-9-22)20-26-18(15-32-20)16-3-5-17(24)6-4-16/h3-7,14-15H,2,8-13H2,1H3,(H,25,29)
InChIKey
UQKVXZKXGXSTTJ-UHFFFAOYSA-N
Compound name
N-[2-[1-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]cyclobutyl]ethyl]-3-(1-methylsulfonylcyclopropyl)pyrazole-1-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

504.10565 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 505.11293 199.2
[M+Na]+ 527.09487 206.1
[M-H]- 503.09837 210.0
[M+NH4]+ 522.13947 199.9
[M+K]+ 543.06881 203.2
[M+H-H2O]+ 487.10291 188.6
[M+HCOO]- 549.10385 205.0
[M+CH3COO]- 563.11950 206.5
[M+Na-2H]- 525.08032 198.8
[M]+ 504.10510 215.9
[M]- 504.10620 215.9
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

No patent data available for this compound.