CID 33996

Brn 2741351

Structural Information

Molecular Formula
C21H23N
SMILES
CN(CCCC1=CC=CC2=CC=CC=C21)CC3=CC=CC=C3
InChI
InChI=1S/C21H23N/c1-22(17-18-9-3-2-4-10-18)16-8-14-20-13-7-12-19-11-5-6-15-21(19)20/h2-7,9-13,15H,8,14,16-17H2,1H3
InChIKey
LFMSXYWSQUNWJL-UHFFFAOYSA-N
Compound name
N-benzyl-N-methyl-3-naphthalen-1-ylpropan-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

289.18304 Da
Monoisotopic Mass

5.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 290.19032 170.7
[M+Na]+ 312.17226 175.8
[M-H]- 288.17576 178.5
[M+NH4]+ 307.21686 187.1
[M+K]+ 328.14620 170.7
[M+H-H2O]+ 272.18030 161.4
[M+HCOO]- 334.18124 193.9
[M+CH3COO]- 348.19689 181.8
[M+Na-2H]- 310.15771 176.9
[M]+ 289.18249 171.6
[M]- 289.18359 171.6
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.