CID 137942923

2287302-02-5

Structural Information

Molecular Formula
C15H20ClNO4S
SMILES
CC(C)(C)OC(=O)N1CCCC2=C(C1)C=CC(=C2)S(=O)(=O)Cl
InChI
InChI=1S/C15H20ClNO4S/c1-15(2,3)21-14(18)17-8-4-5-11-9-13(22(16,19)20)7-6-12(11)10-17/h6-7,9H,4-5,8,10H2,1-3H3
InChIKey
FKGSHUHQTBCKKT-UHFFFAOYSA-N
Compound name
tert-butyl 7-chlorosulfonyl-1,3,4,5-tetrahydro-2-benzazepine-2-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

345.08017 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 346.08745 172.7
[M+Na]+ 368.06939 178.9
[M-H]- 344.07289 176.7
[M+NH4]+ 363.11399 186.5
[M+K]+ 384.04333 180.4
[M+H-H2O]+ 328.07743 167.5
[M+HCOO]- 390.07837 178.9
[M+CH3COO]- 404.09402 205.6
[M+Na-2H]- 366.05484 175.6
[M]+ 345.07962 174.5
[M]- 345.08072 174.5
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.