CID 760875

138451-65-7

Structural Information

Molecular Formula
C16H16N2O
SMILES
CC(=O)N1C2=CC=CC=C2CCC3=C1C=C(C=C3)N
InChI
InChI=1S/C16H16N2O/c1-11(19)18-15-5-3-2-4-12(15)6-7-13-8-9-14(17)10-16(13)18/h2-5,8-10H,6-7,17H2,1H3
InChIKey
SEUMPHLDWPKWRO-UHFFFAOYSA-N
Compound name
1-(2-amino-5,6-dihydrobenzo[b][1]benzazepin-11-yl)ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

9
References

6
Patents

252.12627 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 253.13355 155.8
[M+Na]+ 275.11549 167.6
[M+NH4]+ 270.16009 164.0
[M+K]+ 291.08943 161.8
[M-H]- 251.11899 159.1
[M+Na-2H]- 273.10094 161.7
[M]+ 252.12572 158.5
[M]- 252.12682 158.5
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