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]+ 352.16893 179.5
[M+Na]+ 374.15087 186.0
[M-H]- 350.15437 183.0
[M+NH4]+ 369.19547 198.3
[M+K]+ 390.12481 182.3
[M+H-H2O]+ 334.15891 174.5
[M+HCOO]- 396.15985 190.9
[M+CH3COO]- 410.17550 213.5
[M+Na-2H]- 372.13632 183.4
[M]+ 351.16110 179.5
[M]- 351.16220 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.