CID 16227096

2-azepan-1-yl-5-(morpholin-4-ylsulfonyl)aniline

Structural Information

Molecular Formula
C16H25N3O3S
SMILES
C1CCCN(CC1)C2=C(C=C(C=C2)S(=O)(=O)N3CCOCC3)N
InChI
InChI=1S/C16H25N3O3S/c17-15-13-14(23(20,21)19-9-11-22-12-10-19)5-6-16(15)18-7-3-1-2-4-8-18/h5-6,13H,1-4,7-12,17H2
InChIKey
YCQBQUCVWVMBNY-UHFFFAOYSA-N
Compound name
2-(azepan-1-yl)-5-morpholin-4-ylsulfonylaniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

339.16165 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 340.16893 184.1
[M+Na]+ 362.15087 191.7
[M+NH4]+ 357.19547 189.6
[M+K]+ 378.12481 186.3
[M-H]- 338.15437 188.3
[M+Na-2H]- 360.13632 188.3
[M]+ 339.16110 186.6
[M]- 339.16220 186.6
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.