CID 1982280

Butanediamide, n'-(4-(aminosulfonyl)phenyl)-n,n-bis(2-hydroxyethyl)-

Structural Information

Molecular Formula
C14H21N3O6S
SMILES
C1=CC(=CC=C1NC(=O)CCC(=O)N(CCO)CCO)S(=O)(=O)N
InChI
InChI=1S/C14H21N3O6S/c15-24(22,23)12-3-1-11(2-4-12)16-13(20)5-6-14(21)17(7-9-18)8-10-19/h1-4,18-19H,5-10H2,(H,16,20)(H2,15,22,23)
InChIKey
XRQSNBIYBVIHNX-UHFFFAOYSA-N
Compound name
N',N'-bis(2-hydroxyethyl)-N-(4-sulfamoylphenyl)butanediamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

359.1151 Da
Monoisotopic Mass

-2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 360.12238 179.3
[M+Na]+ 382.10432 181.6
[M-H]- 358.10782 179.9
[M+NH4]+ 377.14892 189.6
[M+K]+ 398.07826 179.3
[M+H-H2O]+ 342.11236 171.2
[M+HCOO]- 404.11330 194.8
[M+CH3COO]- 418.12895 215.0
[M+Na-2H]- 380.08977 179.7
[M]+ 359.11455 181.1
[M]- 359.11565 181.1
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.