CID 161986

Icr 371 dihydrochloride

Structural Information

Molecular Formula
C21H26Cl2N4O
SMILES
CCCCOC1=NC2=C(C3=C(C=C(C=C3)Cl)N=C2C=C1)NCCCNCCCl
InChI
InChI=1S/C21H26Cl2N4O/c1-2-3-13-28-19-8-7-17-21(27-19)20(25-11-4-10-24-12-9-22)16-6-5-15(23)14-18(16)26-17/h5-8,14,24H,2-4,9-13H2,1H3,(H,25,26)
InChIKey
JOJKDEYBURDPEB-UHFFFAOYSA-N
Compound name
N'-(2-butoxy-7-chlorobenzo[b][1,5]naphthyridin-10-yl)-N-(2-chloroethyl)propane-1,3-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

420.14838 Da
Monoisotopic Mass

5.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 421.15566 200.4
[M+Na]+ 443.13760 216.1
[M+NH4]+ 438.18220 208.2
[M+K]+ 459.11154 204.6
[M-H]- 419.14110 204.3
[M+Na-2H]- 441.12305 206.6
[M]+ 420.14783 204.4
[M]- 420.14893 204.4
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.