CID 217510

Icr 441

Structural Information

Molecular Formula
C23H24Cl2N4
SMILES
C1=CC=C2C(=C1)C(=C3C=CC4=C(C3=N2)C=CN=C4)NCCCN(CCCl)CCCl
InChI
InChI=1S/C23H24Cl2N4/c24-9-14-29(15-10-25)13-3-11-27-22-19-4-1-2-5-21(19)28-23-18-8-12-26-16-17(18)6-7-20(22)23/h1-2,4-8,12,16H,3,9-11,13-15H2,(H,27,28)
InChIKey
NAXHTNQDXNZWIS-UHFFFAOYSA-N
Compound name
N-benzo[b][1,8]phenanthrolin-7-yl-N',N'-bis(2-chloroethyl)propane-1,3-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

426.13782 Da
Monoisotopic Mass

5.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 427.14510 198.1
[M+Na]+ 449.12704 206.4
[M-H]- 425.13054 200.8
[M+NH4]+ 444.17164 209.6
[M+K]+ 465.10098 197.6
[M+H-H2O]+ 409.13508 187.5
[M+HCOO]- 471.13602 208.4
[M+CH3COO]- 485.15167 206.2
[M+Na-2H]- 447.11249 205.9
[M]+ 426.13727 205.8
[M]- 426.13837 205.8
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.