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 178.4
[M+Na]+ 373.11904 187.8
[M-H]- 349.12254 181.3
[M+NH4]+ 368.16364 192.1
[M+K]+ 389.09298 179.0
[M+H-H2O]+ 333.12708 168.4
[M+HCOO]- 395.12802 194.5
[M+CH3COO]- 409.14367 188.2
[M+Na-2H]- 371.10449 189.7
[M]+ 350.12927 182.7
[M]- 350.13037 182.7
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.