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

14
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

No literature data available for this compound.

Patent stripe

No patent data available for this compound.