CID 86910

1-naphthalenemethanamine, n-[(4-chlorophenyl)methyl]-, hydrochloride

Structural Information

Molecular Formula
C18H16ClN
SMILES
C1=CC=C2C(=C1)C=CC=C2CNCC3=CC=C(C=C3)Cl
InChI
InChI=1S/C18H16ClN/c19-17-10-8-14(9-11-17)12-20-13-16-6-3-5-15-4-1-2-7-18(15)16/h1-11,20H,12-13H2
InChIKey
LKPNCPAFJMQRME-UHFFFAOYSA-N
Compound name
1-(4-chlorophenyl)-N-(naphthalen-1-ylmethyl)methanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

281.09714 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 282.10442 164.9
[M+Na]+ 304.08636 182.5
[M+NH4]+ 299.13096 176.0
[M+K]+ 320.06030 170.9
[M-H]- 280.08986 172.5
[M+Na-2H]- 302.07181 176.3
[M]+ 281.09659 170.3
[M]- 281.09769 170.3
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