CID 3022552

93839-82-8

Structural Information

Molecular Formula
C15H23N3O4S
SMILES
CCS(=O)(=O)C1=C(C=C(C(=C1)C(=O)NCC2CCCN2)OC)N
InChI
InChI=1S/C15H23N3O4S/c1-3-23(20,21)14-7-11(13(22-2)8-12(14)16)15(19)18-9-10-5-4-6-17-10/h7-8,10,17H,3-6,9,16H2,1-2H3,(H,18,19)
InChIKey
BEDJAYJKACGEHH-UHFFFAOYSA-N
Compound name
4-amino-5-ethylsulfonyl-2-methoxy-N-(pyrrolidin-2-ylmethyl)benzamide
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

1
Patents

341.14093 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 342.14821 178.5
[M+Na]+ 364.13015 183.4
[M-H]- 340.13365 181.8
[M+NH4]+ 359.17475 191.3
[M+K]+ 380.10409 179.2
[M+H-H2O]+ 324.13819 171.3
[M+HCOO]- 386.13913 192.6
[M+CH3COO]- 400.15478 209.4
[M+Na-2H]- 362.11560 177.2
[M]+ 341.14038 178.0
[M]- 341.14148 178.0
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

patents stripe