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]+ 289.12328 169.3
[M+Na]+ 311.10522 175.3
[M-H]- 287.10872 173.9
[M+NH4]+ 306.14982 187.1
[M+K]+ 327.07916 171.0
[M+H-H2O]+ 271.11326 163.1
[M+HCOO]- 333.11420 185.4
[M+CH3COO]- 347.12985 212.2
[M+Na-2H]- 309.09067 171.5
[M]+ 288.11545 175.6
[M]- 288.11655 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.