CID 65662

Etazepine

Structural Information

Molecular Formula
C17H17NO2
SMILES
CCOC1C2=CC=CC=C2C(=O)N(C3=CC=CC=C13)C
InChI
InChI=1S/C17H17NO2/c1-3-20-16-12-8-4-5-9-13(12)17(19)18(2)15-11-7-6-10-14(15)16/h4-11,16H,3H2,1-2H3
InChIKey
BLGFGFHRMMDRPC-UHFFFAOYSA-N
Compound name
11-ethoxy-5-methyl-11H-benzo[c][1]benzazepin-6-one
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

1
References

136
Patents

267.12592 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 268.13320 159.1
[M+Na]+ 290.11514 172.4
[M+NH4]+ 285.15974 167.4
[M+K]+ 306.08908 165.7
[M-H]- 266.11864 162.1
[M+Na-2H]- 288.10059 165.2
[M]+ 267.12537 162.1
[M]- 267.12647 162.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe