CID 65661

Adosupine

Structural Information

Molecular Formula
C17H14N2O3
SMILES
CC(=O)NC1=CC=CC2=C1C(=O)C3=CC=CC=C3N(C2=O)C
InChI
InChI=1S/C17H14N2O3/c1-10(20)18-13-8-5-7-12-15(13)16(21)11-6-3-4-9-14(11)19(2)17(12)22/h3-9H,1-2H3,(H,18,20)
InChIKey
KLSKLNWJEDXFSD-UHFFFAOYSA-N
Compound name
N-(5-methyl-6,11-dioxobenzo[c][1]benzazepin-10-yl)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

43
Patents

294.10043 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 295.10771 164.1
[M+Na]+ 317.08965 174.7
[M-H]- 293.09315 171.1
[M+NH4]+ 312.13425 180.0
[M+K]+ 333.06359 175.2
[M+H-H2O]+ 277.09769 158.0
[M+HCOO]- 339.09863 186.3
[M+CH3COO]- 353.11428 208.2
[M+Na-2H]- 315.07510 170.8
[M]+ 294.09988 166.0
[M]- 294.10098 166.0
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.