CID 213148

Brn 0422482

Structural Information

Molecular Formula
C16H16N2O2
SMILES
C1=CC=C2C(=C1)C(C3=CC=CC=C3NC2=O)NCCO
InChI
InChI=1S/C16H16N2O2/c19-10-9-17-15-11-5-1-2-6-12(11)16(20)18-14-8-4-3-7-13(14)15/h1-8,15,17,19H,9-10H2,(H,18,20)
InChIKey
FAHSDUIWXZFMST-UHFFFAOYSA-N
Compound name
11-(2-hydroxyethylamino)-5,11-dihydrobenzo[c][1]benzazepin-6-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

268.1212 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 269.128476 159.3
[M+Na]+ 291.110418 165.7
[M-H]- 267.113924 162.2
[M+NH4]+ 286.155023 174.2
[M+K]+ 307.084358 164.5
[M+H-H2O]+ 251.118460 153.2
[M+HCOO]- 313.119401 176.7
[M+CH3COO]- 327.135051 169.5
[M+Na-2H]- 289.095866 166.3
[M]+ 268.12065142 154.6
[M]- 268.12174858 154.6
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.