CID 122163164

7-methoxy-1-oxo-2,3,4,5-tetrahydro-1h-2-benzazepine-8-sulfonyl chloride

Structural Information

Molecular Formula
C11H12ClNO4S
SMILES
COC1=C(C=C2C(=C1)CCCNC2=O)S(=O)(=O)Cl
InChI
InChI=1S/C11H12ClNO4S/c1-17-9-5-7-3-2-4-13-11(14)8(7)6-10(9)18(12,15)16/h5-6H,2-4H2,1H3,(H,13,14)
InChIKey
PZDONKKBAGOMRQ-UHFFFAOYSA-N
Compound name
7-methoxy-1-oxo-2,3,4,5-tetrahydro-2-benzazepine-8-sulfonyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

289.01755 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 290.024826 156.6
[M+Na]+ 312.006768 164.5
[M-H]- 288.010274 159.7
[M+NH4]+ 307.051373 171.8
[M+K]+ 327.980708 165.0
[M+H-H2O]+ 272.014810 151.7
[M+HCOO]- 334.015751 164.8
[M+CH3COO]- 348.031401 194.0
[M+Na-2H]- 309.992216 160.0
[M]+ 289.01700142 156.8
[M]- 289.01809858 156.8
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

No patent data available for this compound.