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
2
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]+ 298.216536 166.2
[M+Na]+ 320.198478 171.7
[M-H]- 296.201984 171.8
[M+NH4]+ 315.243083 186.1
[M+K]+ 336.172418 166.5
[M+H-H2O]+ 280.206520 161.6
[M+HCOO]- 342.207461 183.4
[M+CH3COO]- 356.223111 176.8
[M+Na-2H]- 318.183926 167.3
[M]+ 297.20871142 175.3
[M]- 297.20980858 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

literature stripe

Patent stripe

patents stripe