CID 2144

165618-72-4

Structural Information

Molecular Formula
C13H21N3O5S
SMILES
C1=CC(=CC=C1C(=O)NCCOCCOCCN)S(=O)(=O)N
InChI
InChI=1S/C13H21N3O5S/c14-5-7-20-9-10-21-8-6-16-13(17)11-1-3-12(4-2-11)22(15,18)19/h1-4H,5-10,14H2,(H,16,17)(H2,15,18,19)
InChIKey
QGGYVKRXFQLYQD-UHFFFAOYSA-N
Compound name
N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-4-sulfamoylbenzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

60
Patents

331.12018 Da
Monoisotopic Mass

-1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 332.12746 172.5
[M+Na]+ 354.10940 176.3
[M-H]- 330.11290 174.1
[M+NH4]+ 349.15400 184.8
[M+K]+ 370.08334 173.3
[M+H-H2O]+ 314.11744 164.2
[M+HCOO]- 376.11838 190.9
[M+CH3COO]- 390.13403 211.1
[M+Na-2H]- 352.09485 174.6
[M]+ 331.11963 175.5
[M]- 331.12073 175.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe