CID 271389

15218-07-2

Structural Information

Molecular Formula
C17H17NO3S
SMILES
CC1=CC=C(C=C1)S(=O)(=O)N2CCC3=CC=CC=C3C(=O)C2
InChI
InChI=1S/C17H17NO3S/c1-13-6-8-15(9-7-13)22(20,21)18-11-10-14-4-2-3-5-16(14)17(19)12-18/h2-9H,10-12H2,1H3
InChIKey
LHSCRVKJECEXST-UHFFFAOYSA-N
Compound name
3-(4-methylphenyl)sulfonyl-2,4-dihydro-1H-3-benzazepin-5-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

34
Patents

315.09293 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 316.10021 173.5
[M+Na]+ 338.08215 185.1
[M+NH4]+ 333.12675 180.5
[M+K]+ 354.05609 177.8
[M-H]- 314.08565 176.3
[M+Na-2H]- 336.06760 179.8
[M]+ 315.09238 176.5
[M]- 315.09348 176.5
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

patents stripe