CID 437922

Cb 3039

Structural Information

Molecular Formula
C14H22Cl2N2
SMILES
CN(C)CCC1=CC=C(C=C1)N(CCCl)CCCl
InChI
InChI=1S/C14H22Cl2N2/c1-17(2)10-7-13-3-5-14(6-4-13)18(11-8-15)12-9-16/h3-6H,7-12H2,1-2H3
InChIKey
AMAPVBHHOXOWTP-UHFFFAOYSA-N
Compound name
N,N-bis(2-chloroethyl)-4-[2-(dimethylamino)ethyl]aniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

288.116 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 289.123276 169.3
[M+Na]+ 311.105218 175.3
[M-H]- 287.108724 173.9
[M+NH4]+ 306.149823 187.1
[M+K]+ 327.079158 171.0
[M+H-H2O]+ 271.113260 163.1
[M+HCOO]- 333.114201 185.4
[M+CH3COO]- 347.129851 212.2
[M+Na-2H]- 309.090666 171.5
[M]+ 288.11545142 175.6
[M]- 288.11654858 175.6
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.