CID 211481

23204-18-4

Structural Information

Molecular Formula
C21H27NO
SMILES
CC1(CC(CC2=C1C=C(C=C2)OC)NCCC3=CC=CC=C3)C
InChI
InChI=1S/C21H27NO/c1-21(2)15-18(22-12-11-16-7-5-4-6-8-16)13-17-9-10-19(23-3)14-20(17)21/h4-10,14,18,22H,11-13,15H2,1-3H3
InChIKey
XXFMIXKMOKFGPY-UHFFFAOYSA-N
Compound name
6-methoxy-4,4-dimethyl-N-(2-phenylethyl)-2,3-dihydro-1H-naphthalen-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

309.20926 Da
Monoisotopic Mass

5.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 310.21654 176.2
[M+Na]+ 332.19848 182.0
[M-H]- 308.20198 183.1
[M+NH4]+ 327.24308 193.8
[M+K]+ 348.17242 177.0
[M+H-H2O]+ 292.20652 167.7
[M+HCOO]- 354.20746 196.3
[M+CH3COO]- 368.22311 211.1
[M+Na-2H]- 330.18393 180.8
[M]+ 309.20871 175.7
[M]- 309.20981 175.7
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.