CID 217484

Icr 400

Structural Information

Molecular Formula
C19H21Cl3N4O
SMILES
COC1=NC2=C(C3=C(C=C(C=C3)Cl)N=C2C=C1)NCCN(CCCl)CCCl
InChI
InChI=1S/C19H21Cl3N4O/c1-27-17-5-4-15-19(25-17)18(14-3-2-13(22)12-16(14)24-15)23-8-11-26(9-6-20)10-7-21/h2-5,12H,6-11H2,1H3,(H,23,24)
InChIKey
MGFIAVZTDQMRDV-UHFFFAOYSA-N
Compound name
N',N'-bis(2-chloroethyl)-N-(7-chloro-2-methoxybenzo[b][1,5]naphthyridin-10-yl)ethane-1,2-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

426.0781 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 427.08538 196.8
[M+Na]+ 449.06732 213.2
[M+NH4]+ 444.11192 205.0
[M+K]+ 465.04126 202.1
[M-H]- 425.07082 200.7
[M+Na-2H]- 447.05277 203.4
[M]+ 426.07755 201.3
[M]- 426.07865 201.3
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.