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 159.3
[M+Na]+ 291.11042 165.7
[M-H]- 267.11392 162.2
[M+NH4]+ 286.15502 174.2
[M+K]+ 307.08436 164.5
[M+H-H2O]+ 251.11846 153.2
[M+HCOO]- 313.11940 176.7
[M+CH3COO]- 327.13505 169.5
[M+Na-2H]- 289.09587 166.3
[M]+ 268.12065 154.6
[M]- 268.12175 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.