CID 12087504

529514-90-7

Structural Information

Molecular Formula
C20H25N5O4S2
SMILES
C1CCC(C1)C(=O)N2CCN(CC2)S(=O)(=O)C3=CC=CC(=C3)NC(=O)NC4=NC=CS4
InChI
InChI=1S/C20H25N5O4S2/c26-18(15-4-1-2-5-15)24-9-11-25(12-10-24)31(28,29)17-7-3-6-16(14-17)22-19(27)23-20-21-8-13-30-20/h3,6-8,13-15H,1-2,4-5,9-12H2,(H2,21,22,23,27)
InChIKey
SPEJDCTWLFPQCS-UHFFFAOYSA-N
Compound name
1-[3-[4-(cyclopentanecarbonyl)piperazin-1-yl]sulfonylphenyl]-3-(1,3-thiazol-2-yl)urea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

463.1348 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 464.14208 203.9
[M+Na]+ 486.12402 206.6
[M-H]- 462.12752 211.8
[M+NH4]+ 481.16862 211.1
[M+K]+ 502.09796 202.0
[M+H-H2O]+ 446.13206 196.2
[M+HCOO]- 508.13300 210.2
[M+CH3COO]- 522.14865 227.2
[M+Na-2H]- 484.10947 201.2
[M]+ 463.13425 200.8
[M]- 463.13535 200.8
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.