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

141
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 158.8
[M+Na]+ 290.11514 167.3
[M-H]- 266.11864 164.5
[M+NH4]+ 285.15974 175.7
[M+K]+ 306.08908 167.0
[M+H-H2O]+ 250.12318 152.8
[M+HCOO]- 312.12412 177.8
[M+CH3COO]- 326.13977 170.8
[M+Na-2H]- 288.10059 164.9
[M]+ 267.12537 158.7
[M]- 267.12647 158.7
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