CID 15935

5081 hc

Structural Information

Molecular Formula
C14H23N3O3S
SMILES
CCN(CC)CCNS(=O)(=O)C1=CC=C(C=C1)NC(=O)C
InChI
InChI=1S/C14H23N3O3S/c1-4-17(5-2)11-10-15-21(19,20)14-8-6-13(7-9-14)16-12(3)18/h6-9,15H,4-5,10-11H2,1-3H3,(H,16,18)
InChIKey
NJJHZICKSGGHMZ-UHFFFAOYSA-N
Compound name
N-[4-[2-(diethylamino)ethylsulfamoyl]phenyl]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

313.14603 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 314.15331 172.6
[M+Na]+ 336.13525 176.6
[M-H]- 312.13875 176.8
[M+NH4]+ 331.17985 187.1
[M+K]+ 352.10919 174.3
[M+H-H2O]+ 296.14329 164.5
[M+HCOO]- 358.14423 191.9
[M+CH3COO]- 372.15988 213.9
[M+Na-2H]- 334.12070 174.9
[M]+ 313.14548 176.4
[M]- 313.14658 176.4
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