CID 16227096

885531-23-7

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 179.8
[M+Na]+ 362.15087 181.0
[M-H]- 338.15437 186.0
[M+NH4]+ 357.19547 187.5
[M+K]+ 378.12481 182.8
[M+H-H2O]+ 322.15891 169.9
[M+HCOO]- 384.15985 187.5
[M+CH3COO]- 398.17550 186.7
[M+Na-2H]- 360.13632 179.8
[M]+ 339.16110 170.7
[M]- 339.16220 170.7
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.