CID 384672

Nsc674716

Structural Information

Molecular Formula
C17H13NO3
SMILES
COC1=CC2=C(C=C1)NC3=C2COC4=CC=CC=C4C3=O
InChI
InChI=1S/C17H13NO3/c1-20-10-6-7-14-12(8-10)13-9-21-15-5-3-2-4-11(15)17(19)16(13)18-14/h2-8,18H,9H2,1H3
InChIKey
ZJORBEGTOFRJEN-UHFFFAOYSA-N
Compound name
8-methoxy-6,11-dihydro-[1]benzoxepino[4,3-b]indol-12-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

279.08954 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 280.09682 160.4
[M+Na]+ 302.07876 170.9
[M-H]- 278.08226 167.4
[M+NH4]+ 297.12336 177.7
[M+K]+ 318.05270 169.9
[M+H-H2O]+ 262.08680 155.5
[M+HCOO]- 324.08774 179.2
[M+CH3COO]- 338.10339 173.0
[M+Na-2H]- 300.06421 167.5
[M]+ 279.08899 161.6
[M]- 279.09009 161.6
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.