CID 45856

1-naphthylamine, 1,2,3,4-tetrahydro-8-chloro-n-ethyl-5-methoxy-n-(2-propynyl)-, hydrochloride

Structural Information

Molecular Formula
C16H20ClNO
SMILES
CCN(CC#C)C1CCCC2=C(C=CC(=C12)Cl)OC
InChI
InChI=1S/C16H20ClNO/c1-4-11-18(5-2)14-8-6-7-12-15(19-3)10-9-13(17)16(12)14/h1,9-10,14H,5-8,11H2,2-3H3
InChIKey
KFZSQERXRTZIIE-UHFFFAOYSA-N
Compound name
8-chloro-N-ethyl-5-methoxy-N-prop-2-ynyl-1,2,3,4-tetrahydronaphthalen-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

277.12335 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 278.13063 163.7
[M+Na]+ 300.11257 173.8
[M-H]- 276.11607 167.1
[M+NH4]+ 295.15717 180.5
[M+K]+ 316.08651 166.4
[M+H-H2O]+ 260.12061 152.1
[M+HCOO]- 322.12155 175.2
[M+CH3COO]- 336.13720 211.8
[M+Na-2H]- 298.09802 165.6
[M]+ 277.12280 160.9
[M]- 277.12390 160.9
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.