CID 43170

60013-26-5

Structural Information

Molecular Formula
C14H28Cl2N4
SMILES
C1CN(CCN1CCN2CCN(CC2)CCCl)CCCl
InChI
InChI=1S/C14H28Cl2N4/c15-1-3-17-5-9-19(10-6-17)13-14-20-11-7-18(4-2-16)8-12-20/h1-14H2
InChIKey
ATUJLDNJHWNNBA-UHFFFAOYSA-N
Compound name
1-(2-chloroethyl)-4-[2-[4-(2-chloroethyl)piperazin-1-yl]ethyl]piperazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

322.1691 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 323.17638 178.8
[M+Na]+ 345.15832 181.7
[M-H]- 321.16182 176.1
[M+NH4]+ 340.20292 188.1
[M+K]+ 361.13226 175.9
[M+H-H2O]+ 305.16636 167.5
[M+HCOO]- 367.16730 178.9
[M+CH3COO]- 381.18295 205.4
[M+Na-2H]- 343.14377 177.5
[M]+ 322.16855 174.4
[M]- 322.16965 174.4
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.