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
2
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 172.2
[M+Na]+ 357.05157 178.4
[M-H]- 333.05507 175.8
[M+NH4]+ 352.09617 184.9
[M+K]+ 373.02551 180.2
[M+H-H2O]+ 317.05961 166.5
[M+HCOO]- 379.06055 184.1
[M+CH3COO]- 393.07620 206.2
[M+Na-2H]- 355.03702 177.3
[M]+ 334.06180 171.6
[M]- 334.06290 171.6
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.