CID 25389

10565-84-1

Structural Information

Molecular Formula
C21H27N
SMILES
CN(C)CCCC1(CCCC2=CC=CC=C21)C3=CC=CC=C3
InChI
InChI=1S/C21H27N/c1-22(2)17-9-16-21(19-12-4-3-5-13-19)15-8-11-18-10-6-7-14-20(18)21/h3-7,10,12-14H,8-9,11,15-17H2,1-2H3
InChIKey
YDTRMVVEPYEADI-UHFFFAOYSA-N
Compound name
N,N-dimethyl-3-(1-phenyl-3,4-dihydro-2H-naphthalen-1-yl)propan-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

293.21436 Da
Monoisotopic Mass

5.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 294.22164 173.5
[M+Na]+ 316.20358 177.6
[M-H]- 292.20708 180.9
[M+NH4]+ 311.24818 191.7
[M+K]+ 332.17752 173.1
[M+H-H2O]+ 276.21162 164.4
[M+HCOO]- 338.21256 193.8
[M+CH3COO]- 352.22821 183.9
[M+Na-2H]- 314.18903 178.5
[M]+ 293.21381 171.8
[M]- 293.21491 171.8
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

patents stripe