CID 165668232

2408935-73-7

Structural Information

Molecular Formula
C15H18ClNO4S
SMILES
C1C[C@@H]2C[C@H]1[C@H](N2C(=O)OCC3=CC=CC=C3)CS(=O)(=O)Cl
InChI
InChI=1S/C15H18ClNO4S/c16-22(19,20)10-14-12-6-7-13(8-12)17(14)15(18)21-9-11-4-2-1-3-5-11/h1-5,12-14H,6-10H2/t12-,13+,14+/m0/s1
InChIKey
ATHTYBCUBQDCGH-BFHYXJOUSA-N
Compound name
benzyl (1R,3S,4S)-3-(chlorosulfonylmethyl)-2-azabicyclo[2.2.1]heptane-2-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

343.0645 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 344.07178 181.4
[M+Na]+ 366.05372 189.5
[M-H]- 342.05722 186.5
[M+NH4]+ 361.09832 200.2
[M+K]+ 382.02766 185.4
[M+H-H2O]+ 326.06176 177.1
[M+HCOO]- 388.06270 190.4
[M+CH3COO]- 402.07835 202.9
[M+Na-2H]- 364.03917 180.6
[M]+ 343.06395 187.4
[M]- 343.06505 187.4
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.