CID 146675081

Vd6a0p3llm

Structural Information

Molecular Formula
C15H14N2O5S
SMILES
C1C(C2=CC=CC=C2N(C3=CC=CC=C31)C(=O)N)OS(=O)(=O)O
InChI
InChI=1S/C15H14N2O5S/c16-15(18)17-12-7-3-1-5-10(12)9-14(22-23(19,20)21)11-6-2-4-8-13(11)17/h1-8,14H,9H2,(H2,16,18)(H,19,20,21)
InChIKey
DQCMJSSQBFEDHL-UHFFFAOYSA-N
Compound name
(11-carbamoyl-5,6-dihydrobenzo[b][1]benzazepin-5-yl) hydrogen sulfate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

334.06235 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 335.06963 171.8
[M+Na]+ 357.05157 180.5
[M+NH4]+ 352.09617 177.1
[M+K]+ 373.02551 176.1
[M-H]- 333.05507 171.8
[M+Na-2H]- 355.03702 175.0
[M]+ 334.06180 173.2
[M]- 334.06290 173.2
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.