CID 44704

Naphthaleneethylamine, 1,2,3,4-tetrahydro-n,n-dimethyl-2-ethyl-7-methoxy-1-methyl-, hydrochloride

Structural Information

Molecular Formula
C18H29NO
SMILES
CCC1CCC2=C(C1(C)CCN(C)C)C=C(C=C2)OC
InChI
InChI=1S/C18H29NO/c1-6-15-9-7-14-8-10-16(20-5)13-17(14)18(15,2)11-12-19(3)4/h8,10,13,15H,6-7,9,11-12H2,1-5H3
InChIKey
VRJYZWQPLWDSEK-UHFFFAOYSA-N
Compound name
2-(2-ethyl-7-methoxy-1-methyl-3,4-dihydro-2H-naphthalen-1-yl)-N,N-dimethylethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
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 167.9
[M+Na]+ 298.21412 173.8
[M-H]- 274.21762 173.1
[M+NH4]+ 293.25872 188.1
[M+K]+ 314.18806 171.5
[M+H-H2O]+ 258.22216 161.2
[M+HCOO]- 320.22310 188.1
[M+CH3COO]- 334.23875 209.8
[M+Na-2H]- 296.19957 171.1
[M]+ 275.22435 170.2
[M]- 275.22545 170.2
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.