CID 735931

1-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)ethanone

Structural Information

Molecular Formula
C16H15NO
SMILES
CC(=O)N1C2=CC=CC=C2CCC3=CC=CC=C31
InChI
InChI=1S/C16H15NO/c1-12(18)17-15-8-4-2-6-13(15)10-11-14-7-3-5-9-16(14)17/h2-9H,10-11H2,1H3
InChIKey
QBSUAHGUFKVVTM-UHFFFAOYSA-N
Compound name
1-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)ethanone
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

62
Patents

237.11537 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 238.122646 150.7
[M+Na]+ 260.104588 157.9
[M-H]- 236.108094 156.0
[M+NH4]+ 255.149193 168.4
[M+K]+ 276.078528 157.4
[M+H-H2O]+ 220.112630 145.0
[M+HCOO]- 282.113571 169.0
[M+CH3COO]- 296.129221 162.6
[M+Na-2H]- 258.090036 157.7
[M]+ 237.11482142 147.6
[M]- 237.11591858 147.6
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