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]+ 269.12848 159.2
[M+Na]+ 291.11042 170.1
[M+NH4]+ 286.15502 166.4
[M+K]+ 307.08436 164.4
[M-H]- 267.11392 161.4
[M+Na-2H]- 289.09587 164.3
[M]+ 268.12065 161.3
[M]- 268.12175 161.3
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.