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 198.7
[M+Na]+ 415.16784 201.6
[M-H]- 391.17134 204.8
[M+NH4]+ 410.21244 211.4
[M+K]+ 431.14178 194.9
[M+H-H2O]+ 375.17588 189.5
[M+HCOO]- 437.17682 213.5
[M+CH3COO]- 451.19247 229.8
[M+Na-2H]- 413.15329 200.0
[M]+ 392.17807 205.2
[M]- 392.17917 205.2
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.