CID 131668410

1369995-36-7

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 180.9
[M+Na]+ 389.03332 191.5
[M-H]- 365.03682 186.3
[M+NH4]+ 384.07792 197.3
[M+K]+ 405.00726 184.9
[M+H-H2O]+ 349.04136 175.9
[M+HCOO]- 411.04230 191.5
[M+CH3COO]- 425.05795 208.7
[M+Na-2H]- 387.01877 184.0
[M]+ 366.04355 185.6
[M]- 366.04465 185.6
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.