CID 119409

Desmethylmaprotiline

Structural Information

Molecular Formula
C19H21N
SMILES
C1CC2(C3=CC=CC=C3C1C4=CC=CC=C42)CCCN
InChI
InChI=1S/C19H21N/c20-13-5-11-19-12-10-14(15-6-1-3-8-17(15)19)16-7-2-4-9-18(16)19/h1-4,6-9,14H,5,10-13,20H2
InChIKey
IFHUOEQJTQWFGJ-UHFFFAOYSA-N
Compound name
3-(1-tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaenyl)propan-1-amine
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

16
References

10
Patents

263.1674 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 264.17468 160.3
[M+Na]+ 286.15662 165.1
[M-H]- 262.16012 161.7
[M+NH4]+ 281.20122 182.8
[M+K]+ 302.13056 159.0
[M+H-H2O]+ 246.16466 151.5
[M+HCOO]- 308.16560 173.7
[M+CH3COO]- 322.18125 170.0
[M+Na-2H]- 284.14207 170.8
[M]+ 263.16685 160.3
[M]- 263.16795 160.3
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