CID 217508

Icr 428

Structural Information

Molecular Formula
C20H19ClN4
SMILES
C1=CC=C2C(=C1)C(=C3C=CC4=C(C3=N2)C=CN=C4)NCCNCCCl
InChI
InChI=1S/C20H19ClN4/c21-8-10-22-11-12-24-19-16-3-1-2-4-18(16)25-20-15-7-9-23-13-14(15)5-6-17(19)20/h1-7,9,13,22H,8,10-12H2,(H,24,25)
InChIKey
MHLOMRHTJKBFSO-UHFFFAOYSA-N
Compound name
N'-benzo[b][1,8]phenanthrolin-7-yl-N-(2-chloroethyl)ethane-1,2-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

350.12982 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 351.13710 182.5
[M+Na]+ 373.11904 200.1
[M+NH4]+ 368.16364 192.3
[M+K]+ 389.09298 188.2
[M-H]- 349.12254 188.3
[M+Na-2H]- 371.10449 191.2
[M]+ 350.12927 187.2
[M]- 350.13037 187.2
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.