CID 123696

Uh 232

Structural Information

Molecular Formula
C18H29NO
SMILES
CCCN(CCC)[C@H]1CCC2=C([C@H]1C)C=CC=C2OC
InChI
InChI=1S/C18H29NO/c1-5-12-19(13-6-2)17-11-10-16-15(14(17)3)8-7-9-18(16)20-4/h7-9,14,17H,5-6,10-13H2,1-4H3/t14-,17+/m1/s1
InChIKey
BTOJYCTUJJHANF-PBHICJAKSA-N
Compound name
(1R,2S)-5-methoxy-1-methyl-N,N-dipropyl-1,2,3,4-tetrahydronaphthalen-2-amine
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

47
References

31
Patents

275.2249 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 276.23218 169.1
[M+Na]+ 298.21412 174.0
[M-H]- 274.21762 173.9
[M+NH4]+ 293.25872 187.2
[M+K]+ 314.18806 171.4
[M+H-H2O]+ 258.22216 161.7
[M+HCOO]- 320.22310 189.3
[M+CH3COO]- 334.23875 210.3
[M+Na-2H]- 296.19957 171.1
[M]+ 275.22435 171.1
[M]- 275.22545 171.1
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