CID 159642

Didesipramine

Structural Information

Molecular Formula
C17H20N2
SMILES
C1CC2=CC=CC=C2N(C3=CC=CC=C31)CCCN
InChI
InChI=1S/C17H20N2/c18-12-5-13-19-16-8-3-1-6-14(16)10-11-15-7-2-4-9-17(15)19/h1-4,6-9H,5,10-13,18H2
InChIKey
XJWJQDZWUYUIEM-UHFFFAOYSA-N
Compound name
3-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)propan-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

15
References

19
Patents

252.16264 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 253.16992 157.6
[M+Na]+ 275.15186 163.6
[M-H]- 251.15536 162.0
[M+NH4]+ 270.19646 174.2
[M+K]+ 291.12580 162.1
[M+H-H2O]+ 235.15990 151.1
[M+HCOO]- 297.16084 176.5
[M+CH3COO]- 311.17649 168.3
[M+Na-2H]- 273.13731 164.5
[M]+ 252.16209 153.2
[M]- 252.16319 153.2
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