CID 120381

Ici 45337

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]+ 253.13355 155.2
[M+Na]+ 275.11549 162.4
[M-H]- 251.11899 160.8
[M+NH4]+ 270.16009 172.2
[M+K]+ 291.08943 162.3
[M+H-H2O]+ 235.12353 149.1
[M+HCOO]- 297.12447 174.4
[M+CH3COO]- 311.14012 166.8
[M+Na-2H]- 273.10094 161.9
[M]+ 252.12572 152.0
[M]- 252.12682 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.