CID 266853

1-((4-methylphenyl)sulfonyl)-2,3-dihydro-1h-1-benzazepin-3-ol

Structural Information

Molecular Formula
C17H17NO3S
SMILES
CC1=CC=C(C=C1)S(=O)(=O)N2CC(C=CC3=CC=CC=C32)O
InChI
InChI=1S/C17H17NO3S/c1-13-6-10-16(11-7-13)22(20,21)18-12-15(19)9-8-14-4-2-3-5-17(14)18/h2-11,15,19H,12H2,1H3
InChIKey
ZDJUZNSLJATCAX-UHFFFAOYSA-N
Compound name
1-(4-methylphenyl)sulfonyl-2,3-dihydro-1-benzazepin-3-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

315.09293 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 316.10021 172.6
[M+Na]+ 338.08215 179.4
[M-H]- 314.08565 178.8
[M+NH4]+ 333.12675 185.7
[M+K]+ 354.05609 179.3
[M+H-H2O]+ 298.09019 166.4
[M+HCOO]- 360.09113 185.5
[M+CH3COO]- 374.10678 182.7
[M+Na-2H]- 336.06760 176.2
[M]+ 315.09238 171.3
[M]- 315.09348 171.3
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.