CID 23380

Nsc 63029

Structural Information

Molecular Formula
C22H30Cl2N2
SMILES
C1=CC=C(C=C1)CN(CCCCN(CCCl)CC2=CC=CC=C2)CCCl
InChI
InChI=1S/C22H30Cl2N2/c23-13-17-25(19-21-9-3-1-4-10-21)15-7-8-16-26(18-14-24)20-22-11-5-2-6-12-22/h1-6,9-12H,7-8,13-20H2
InChIKey
HCJHBNZBHDXVLC-UHFFFAOYSA-N
Compound name
N,N'-dibenzyl-N,N'-bis(2-chloroethyl)butane-1,4-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

392.17862 Da
Monoisotopic Mass

5.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 393.18590 198.9
[M+Na]+ 415.16784 212.3
[M+NH4]+ 410.21244 207.8
[M+K]+ 431.14178 200.7
[M-H]- 391.17134 205.4
[M+Na-2H]- 413.15329 207.8
[M]+ 392.17807 203.4
[M]- 392.17917 203.4
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.