CID 131668410

O-ethyl chlorthalidone

Structural Information

Molecular Formula
C16H15ClN2O4S
SMILES
CCOC1(C2=CC=CC=C2C(=O)N1)C3=CC(=C(C=C3)Cl)S(=O)(=O)N
InChI
InChI=1S/C16H15ClN2O4S/c1-2-23-16(12-6-4-3-5-11(12)15(20)19-16)10-7-8-13(17)14(9-10)24(18,21)22/h3-9H,2H2,1H3,(H,19,20)(H2,18,21,22)
InChIKey
XAYIDIRKYMLVTP-UHFFFAOYSA-N
Compound name
2-chloro-5-(1-ethoxy-3-oxo-2H-isoindol-1-yl)benzenesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

366.0441 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 367.05138 180.0
[M+Na]+ 389.03332 191.7
[M+NH4]+ 384.07792 187.9
[M+K]+ 405.00726 183.9
[M-H]- 365.03682 181.7
[M+Na-2H]- 387.01877 186.2
[M]+ 366.04355 182.9
[M]- 366.04465 182.9
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.