CID 53462006

5h-dibenz[b,f]azepin-2-ol, 10,11-dihydro-5-[2-methyl-3-(methylamino)propyl]-

Structural Information

Molecular Formula
C19H24N2O
SMILES
CC(CNC)CN1C2=C(CCC3=CC=CC=C31)C=C(C=C2)O
InChI
InChI=1S/C19H24N2O/c1-14(12-20-2)13-21-18-6-4-3-5-15(18)7-8-16-11-17(22)9-10-19(16)21/h3-6,9-11,14,20,22H,7-8,12-13H2,1-2H3
InChIKey
LITUUVIRCVGRTI-UHFFFAOYSA-N
Compound name
11-[2-methyl-3-(methylamino)propyl]-5,6-dihydrobenzo[b][1]benzazepin-3-ol
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

0
Patents

296.18887 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 297.196146 169.8
[M+Na]+ 319.178088 174.9
[M-H]- 295.181594 173.5
[M+NH4]+ 314.222693 184.5
[M+K]+ 335.152028 174.2
[M+H-H2O]+ 279.186130 163.3
[M+HCOO]- 341.187071 186.4
[M+CH3COO]- 355.202721 179.4
[M+Na-2H]- 317.163536 174.5
[M]+ 296.18832142 166.5
[M]- 296.18941858 166.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.