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 163.7
[M+Na]+ 304.08636 171.9
[M-H]- 280.08986 170.8
[M+NH4]+ 299.13096 181.1
[M+K]+ 320.06030 164.5
[M+H-H2O]+ 264.09440 156.2
[M+HCOO]- 326.09534 182.9
[M+CH3COO]- 340.11099 175.6
[M+Na-2H]- 302.07181 171.2
[M]+ 281.09659 165.3
[M]- 281.09769 165.3
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