CID 3036966

Treptilamine

Structural Information

Molecular Formula
C20H27NO
SMILES
CCN(CC)CCO/C(=C/1\C2CC3C1C3C2)/C4=CC=CC=C4
InChI
InChI=1S/C20H27NO/c1-3-21(4-2)10-11-22-20(14-8-6-5-7-9-14)18-15-12-16-17(13-15)19(16)18/h5-9,15-17,19H,3-4,10-13H2,1-2H3/b20-18+
InChIKey
XXFPAPPEFJYBHA-CZIZESTLSA-N
Compound name
N,N-diethyl-2-[(E)-phenyl(3-tricyclo[2.2.1.02,6]heptanylidene)methoxy]ethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

20
Patents

297.20926 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 298.21654 166.2
[M+Na]+ 320.19848 171.7
[M-H]- 296.20198 171.8
[M+NH4]+ 315.24308 186.1
[M+K]+ 336.17242 166.5
[M+H-H2O]+ 280.20652 161.6
[M+HCOO]- 342.20746 183.4
[M+CH3COO]- 356.22311 176.8
[M+Na-2H]- 318.18393 167.3
[M]+ 297.20871 175.3
[M]- 297.20981 175.3
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.