CID 120381

789-37-7

Structural Information

Molecular Formula
C16H16N2O
SMILES
CN(C)C1C2=CC=CC=C2C(=O)NC3=CC=CC=C13
InChI
InChI=1S/C16H16N2O/c1-18(2)15-11-7-3-4-8-12(11)16(19)17-14-10-6-5-9-13(14)15/h3-10,15H,1-2H3,(H,17,19)
InChIKey
ODOFCZZIGMCBLQ-UHFFFAOYSA-N
Compound name
11-(dimethylamino)-5,11-dihydrobenzo[c][1]benzazepin-6-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

252.12627 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 253.133546 155.2
[M+Na]+ 275.115488 162.4
[M-H]- 251.118994 160.8
[M+NH4]+ 270.160093 172.2
[M+K]+ 291.089428 162.3
[M+H-H2O]+ 235.123530 149.1
[M+HCOO]- 297.124471 174.4
[M+CH3COO]- 311.140121 166.8
[M+Na-2H]- 273.100936 161.9
[M]+ 252.12572142 152.0
[M]- 252.12681858 152.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.