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 180.9
[M+Na]+ 373.15562 187.9
[M-H]- 349.15912 185.0
[M+NH4]+ 368.20022 200.4
[M+K]+ 389.12956 184.3
[M+H-H2O]+ 333.16366 175.8
[M+HCOO]- 395.16460 191.7
[M+CH3COO]- 409.18025 211.8
[M+Na-2H]- 371.14107 184.3
[M]+ 350.16585 182.8
[M]- 350.16695 182.8
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

patents stripe