CID 2185728

Carbamic acid, (4-(((3-(4-morpholinyl)propyl)amino)sulfonyl)phenyl)-, ethyl ester

Structural Information

Molecular Formula
C16H25N3O5S
SMILES
CCOC(=O)NC1=CC=C(C=C1)S(=O)(=O)NCCCN2CCOCC2
InChI
InChI=1S/C16H25N3O5S/c1-2-24-16(20)18-14-4-6-15(7-5-14)25(21,22)17-8-3-9-19-10-12-23-13-11-19/h4-7,17H,2-3,8-13H2,1H3,(H,18,20)
InChIKey
LQQQFQDNXIPRGC-UHFFFAOYSA-N
Compound name
ethyl N-[4-(3-morpholin-4-ylpropylsulfamoyl)phenyl]carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

0
Patents

371.1515 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 372.15878 184.5
[M+Na]+ 394.14072 186.7
[M-H]- 370.14422 188.8
[M+NH4]+ 389.18532 193.0
[M+K]+ 410.11466 184.7
[M+H-H2O]+ 354.14876 175.3
[M+HCOO]- 416.14970 197.7
[M+CH3COO]- 430.16535 215.1
[M+Na-2H]- 392.12617 187.7
[M]+ 371.15095 185.8
[M]- 371.15205 185.8
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

No patent data available for this compound.