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 189.6
[M+Na]+ 387.13652 193.4
[M-H]- 363.14002 196.2
[M+NH4]+ 382.18112 203.5
[M+K]+ 403.11046 187.2
[M+H-H2O]+ 347.14456 181.0
[M+HCOO]- 409.14550 205.1
[M+CH3COO]- 423.16115 224.0
[M+Na-2H]- 385.12197 192.0
[M]+ 364.14675 195.5
[M]- 364.14785 195.5
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.