CID 121249

2-hydroxydesipramine

Structural Information

Molecular Formula
C18H22N2O
SMILES
CNCCCN1C2=C(CCC3=CC=CC=C31)C=C(C=C2)O
InChI
InChI=1S/C18H22N2O/c1-19-11-4-12-20-17-6-3-2-5-14(17)7-8-15-13-16(21)9-10-18(15)20/h2-3,5-6,9-10,13,19,21H,4,7-8,11-12H2,1H3
InChIKey
NVJBOLMRGMDGLD-UHFFFAOYSA-N
Compound name
11-[3-(methylamino)propyl]-5,6-dihydrobenzo[b][1]benzazepin-3-ol
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

63
References

42
Patents

282.17322 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 283.18050 165.6
[M+Na]+ 305.16244 171.5
[M-H]- 281.16594 169.4
[M+NH4]+ 300.20704 180.9
[M+K]+ 321.13638 170.3
[M+H-H2O]+ 265.17048 159.1
[M+HCOO]- 327.17142 183.5
[M+CH3COO]- 341.18707 175.7
[M+Na-2H]- 303.14789 171.9
[M]+ 282.17267 162.5
[M]- 282.17377 162.5
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

patents stripe