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 194.0
[M+Na]+ 449.06732 203.5
[M-H]- 425.07082 195.6
[M+NH4]+ 444.11192 205.4
[M+K]+ 465.04126 196.4
[M+H-H2O]+ 409.07536 185.4
[M+HCOO]- 471.07630 200.9
[M+CH3COO]- 485.09195 202.5
[M+Na-2H]- 447.05277 199.1
[M]+ 426.07755 203.6
[M]- 426.07865 203.6
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.