CID 43497

N,n-bis(2-chloroethyl)-1-naphthalenemethanamine hydrochloride

Structural Information

Molecular Formula
C15H17Cl2N
SMILES
C1=CC=C2C(=C1)C=CC=C2CN(CCCl)CCCl
InChI
InChI=1S/C15H17Cl2N/c16-8-10-18(11-9-17)12-14-6-3-5-13-4-1-2-7-15(13)14/h1-7H,8-12H2
InChIKey
JDNKGGWYOJDWLC-UHFFFAOYSA-N
Compound name
2-chloro-N-(2-chloroethyl)-N-(naphthalen-1-ylmethyl)ethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

26
Patents

281.0738 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 282.08108 162.9
[M+Na]+ 304.06302 170.6
[M-H]- 280.06652 167.1
[M+NH4]+ 299.10762 181.6
[M+K]+ 320.03696 164.4
[M+H-H2O]+ 264.07106 157.1
[M+HCOO]- 326.07200 177.1
[M+CH3COO]- 340.08765 204.3
[M+Na-2H]- 302.04847 168.5
[M]+ 281.07325 167.9
[M]- 281.07435 167.9
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