CID 2986804

81865-16-9

Structural Information

Molecular Formula
C15H22N2O4S
SMILES
CCOC(=O)NC1=CC=C(C=C1)S(=O)(=O)N2CCCCCC2
InChI
InChI=1S/C15H22N2O4S/c1-2-21-15(18)16-13-7-9-14(10-8-13)22(19,20)17-11-5-3-4-6-12-17/h7-10H,2-6,11-12H2,1H3,(H,16,18)
InChIKey
TYGVUWILIBPAQQ-UHFFFAOYSA-N
Compound name
ethyl N-[4-(azepan-1-ylsulfonyl)phenyl]carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

326.13004 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 327.137316 174.0
[M+Na]+ 349.119258 175.6
[M-H]- 325.122764 179.0
[M+NH4]+ 344.163863 185.2
[M+K]+ 365.093198 178.2
[M+H-H2O]+ 309.127300 165.9
[M+HCOO]- 371.128241 186.6
[M+CH3COO]- 385.143891 204.7
[M+Na-2H]- 347.104706 175.0
[M]+ 326.12949142 170.5
[M]- 326.13058858 170.5
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.