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]+ 297.19615 169.8
[M+Na]+ 319.17809 174.9
[M-H]- 295.18159 173.5
[M+NH4]+ 314.22269 184.5
[M+K]+ 335.15203 174.2
[M+H-H2O]+ 279.18613 163.3
[M+HCOO]- 341.18707 186.4
[M+CH3COO]- 355.20272 179.4
[M+Na-2H]- 317.16354 174.5
[M]+ 296.18832 166.5
[M]- 296.18942 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.