CID 217486

Icr 349

Structural Information

Molecular Formula
C20H23Cl3N4O
SMILES
COC1=NC2=C(C3=C(C=C(C=C3)Cl)N=C2C=C1)NCCCN(CCCl)CCCl
InChI
InChI=1S/C20H23Cl3N4O/c1-28-18-6-5-16-20(26-18)19(15-4-3-14(23)13-17(15)25-16)24-9-2-10-27(11-7-21)12-8-22/h3-6,13H,2,7-12H2,1H3,(H,24,25)
InChIKey
CPEOHEUMFUADLY-UHFFFAOYSA-N
Compound name
N',N'-bis(2-chloroethyl)-N-(7-chloro-2-methoxybenzo[b][1,5]naphthyridin-10-yl)propane-1,3-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

440.09375 Da
Monoisotopic Mass

5.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 441.10103 201.2
[M+Na]+ 463.08297 217.4
[M+NH4]+ 458.12757 209.3
[M+K]+ 479.05691 206.1
[M-H]- 439.08647 205.0
[M+Na-2H]- 461.06842 207.6
[M]+ 440.09320 205.6
[M]- 440.09430 205.6
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.