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]+ 327.13732 174.0
[M+Na]+ 349.11926 175.6
[M-H]- 325.12276 179.0
[M+NH4]+ 344.16386 185.2
[M+K]+ 365.09320 178.2
[M+H-H2O]+ 309.12730 165.9
[M+HCOO]- 371.12824 186.6
[M+CH3COO]- 385.14389 204.7
[M+Na-2H]- 347.10471 175.0
[M]+ 326.12949 170.5
[M]- 326.13059 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.