CID 487967

1,2,2-trimethyl-3-[[4-(thiazol-2-ylsulfamoyl)phenyl]carbamoyl]cyclopentanecarboxylic acid

Structural Information

Molecular Formula
C19H23N3O5S2
SMILES
CC1(C(CCC1(C)C(=O)O)C(=O)NC2=CC=C(C=C2)S(=O)(=O)NC3=NC=CS3)C
InChI
InChI=1S/C19H23N3O5S2/c1-18(2)14(8-9-19(18,3)16(24)25)15(23)21-12-4-6-13(7-5-12)29(26,27)22-17-20-10-11-28-17/h4-7,10-11,14H,8-9H2,1-3H3,(H,20,22)(H,21,23)(H,24,25)
InChIKey
XYDKSZHIIIVACB-UHFFFAOYSA-N
Compound name
1,2,2-trimethyl-3-[[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]carbamoyl]cyclopentane-1-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

437.1079 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 438.11518 197.3
[M+Na]+ 460.09712 202.9
[M-H]- 436.10062 204.0
[M+NH4]+ 455.14172 211.8
[M+K]+ 476.07106 198.9
[M+H-H2O]+ 420.10516 193.1
[M+HCOO]- 482.10610 207.1
[M+CH3COO]- 496.12175 223.1
[M+Na-2H]- 458.08257 198.8
[M]+ 437.10735 200.4
[M]- 437.10845 200.4
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.