CID 57606

100027-90-5

Structural Information

Molecular Formula
C20H26Cl2N2
SMILES
C1=CC=C(C=C1)CN(CCN(CCCl)CCCl)CC2=CC=CC=C2
InChI
InChI=1S/C20H26Cl2N2/c21-11-13-23(14-12-22)15-16-24(17-19-7-3-1-4-8-19)18-20-9-5-2-6-10-20/h1-10H,11-18H2
InChIKey
XVRVVQFDGWXRAR-UHFFFAOYSA-N
Compound name
N',N'-dibenzyl-N,N-bis(2-chloroethyl)ethane-1,2-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

364.1473 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 365.15458 189.8
[M+Na]+ 387.13652 203.7
[M+NH4]+ 382.18112 199.1
[M+K]+ 403.11046 192.5
[M-H]- 363.14002 196.4
[M+Na-2H]- 385.12197 199.4
[M]+ 364.14675 194.4
[M]- 364.14785 194.4
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.