CID 5273744

Chembl360316

Structural Information

Molecular Formula
C24H23FN2O4S
SMILES
C1CCC(CC1)N(C2=NC=C(S2)C(=O)O)C(=O)C3=CC=C(C=C3)OCC4=CC=CC=C4F
InChI
InChI=1S/C24H23FN2O4S/c25-20-9-5-4-6-17(20)15-31-19-12-10-16(11-13-19)22(28)27(18-7-2-1-3-8-18)24-26-14-21(32-24)23(29)30/h4-6,9-14,18H,1-3,7-8,15H2,(H,29,30)
InChIKey
QUZFPCOXBPVFTD-UHFFFAOYSA-N
Compound name
2-[cyclohexyl-[4-[(2-fluorophenyl)methoxy]benzoyl]amino]-1,3-thiazole-5-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

454.13626 Da
Monoisotopic Mass

5.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 455.14354 205.4
[M+Na]+ 477.12548 208.1
[M-H]- 453.12898 214.5
[M+NH4]+ 472.17008 213.3
[M+K]+ 493.09942 203.6
[M+H-H2O]+ 437.13352 194.5
[M+HCOO]- 499.13446 217.4
[M+CH3COO]- 513.15011 230.5
[M+Na-2H]- 475.11093 200.7
[M]+ 454.13571 204.2
[M]- 454.13681 204.2
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

No patent data available for this compound.