CID 211483

2-naphthalenamine, 1,2,3,4-tetrahydro-6-methoxy-n,4,4-trimethyl-n-(2-phenylethyl)-, hydrochloride

Structural Information

Molecular Formula
C22H29NO
SMILES
CC1(CC(CC2=C1C=C(C=C2)OC)N(C)CCC3=CC=CC=C3)C
InChI
InChI=1S/C22H29NO/c1-22(2)16-19(14-18-10-11-20(24-4)15-21(18)22)23(3)13-12-17-8-6-5-7-9-17/h5-11,15,19H,12-14,16H2,1-4H3
InChIKey
QEVNOLIGZPKZLD-UHFFFAOYSA-N
Compound name
6-methoxy-N,4,4-trimethyl-N-(2-phenylethyl)-2,3-dihydro-1H-naphthalen-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

323.2249 Da
Monoisotopic Mass

5.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 324.232176 180.9
[M+Na]+ 346.214118 186.3
[M-H]- 322.217624 188.9
[M+NH4]+ 341.258723 198.4
[M+K]+ 362.188058 182.4
[M+H-H2O]+ 306.222160 171.9
[M+HCOO]- 368.223101 201.1
[M+CH3COO]- 382.238751 217.4
[M+Na-2H]- 344.199566 184.1
[M]+ 323.22435142 181.8
[M]- 323.22544858 181.8
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.