CID 214829

71-16 r&c

Structural Information

Molecular Formula
C18H26N2O3S
SMILES
CC1=CC=C(C=C1)S(=O)(=O)NC(=O)N2CC3CCC(C2)(C3(C)C)C
InChI
InChI=1S/C18H26N2O3S/c1-13-5-7-15(8-6-13)24(22,23)19-16(21)20-11-14-9-10-18(4,12-20)17(14,2)3/h5-8,14H,9-12H2,1-4H3,(H,19,21)
InChIKey
ZXVJNNSXLBNSJP-UHFFFAOYSA-N
Compound name
1,8,8-trimethyl-N-(4-methylphenyl)sulfonyl-3-azabicyclo[3.2.1]octane-3-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

350.1664 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 351.17368 180.3
[M+Na]+ 373.15562 188.5
[M+NH4]+ 368.20022 189.9
[M+K]+ 389.12956 179.7
[M-H]- 349.15912 181.0
[M+Na-2H]- 371.14107 185.6
[M]+ 350.16585 182.2
[M]- 350.16695 182.2
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.