CID 214828

84-33 r&c

Structural Information

Molecular Formula
C17H25N3O3S
SMILES
CC1(C2CCC1(CN(C2)C(=O)NS(=O)(=O)C3=CC=C(C=C3)N)C)C
InChI
InChI=1S/C17H25N3O3S/c1-16(2)12-8-9-17(16,3)11-20(10-12)15(21)19-24(22,23)14-6-4-13(18)5-7-14/h4-7,12H,8-11,18H2,1-3H3,(H,19,21)
InChIKey
MALOWAXITLNPQR-UHFFFAOYSA-N
Compound name
N-(4-aminophenyl)sulfonyl-1,8,8-trimethyl-3-azabicyclo[3.2.1]octane-3-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

351.16165 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 352.168926 179.5
[M+Na]+ 374.150868 186.0
[M-H]- 350.154374 183.0
[M+NH4]+ 369.195473 198.3
[M+K]+ 390.124808 182.3
[M+H-H2O]+ 334.158910 174.5
[M+HCOO]- 396.159851 190.9
[M+CH3COO]- 410.175501 213.5
[M+Na-2H]- 372.136316 183.4
[M]+ 351.16110142 179.5
[M]- 351.16219858 179.5
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.