CID 102481054

1128054-70-5

Structural Information

Molecular Formula
C17H17NO
SMILES
C1CN(C2=CC=CC=C2CC1=O)CC3=CC=CC=C3
InChI
InChI=1S/C17H17NO/c19-16-10-11-18(13-14-6-2-1-3-7-14)17-9-5-4-8-15(17)12-16/h1-9H,10-13H2
InChIKey
KVJLNCRWJLZYNL-UHFFFAOYSA-N
Compound name
1-benzyl-3,5-dihydro-2H-1-benzazepin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

251.13101 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 252.13829 156.8
[M+Na]+ 274.12023 162.4
[M-H]- 250.12373 163.5
[M+NH4]+ 269.16483 172.3
[M+K]+ 290.09417 161.6
[M+H-H2O]+ 234.12827 149.7
[M+HCOO]- 296.12921 175.6
[M+CH3COO]- 310.14486 167.8
[M+Na-2H]- 272.10568 162.4
[M]+ 251.13046 151.8
[M]- 251.13156 151.8
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