CID 1982280

171088-67-8

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]+ 360.122376 179.3
[M+Na]+ 382.104318 181.6
[M-H]- 358.107824 179.9
[M+NH4]+ 377.148923 189.6
[M+K]+ 398.078258 179.3
[M+H-H2O]+ 342.112360 171.2
[M+HCOO]- 404.113301 194.8
[M+CH3COO]- 418.128951 215.0
[M+Na-2H]- 380.089766 179.7
[M]+ 359.11455142 181.1
[M]- 359.11564858 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.