CID 217494

Icr 446

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

420.14838 Da
Monoisotopic Mass

5.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 421.15566 198.2
[M+Na]+ 443.13760 206.5
[M-H]- 419.14110 199.5
[M+NH4]+ 438.18220 209.1
[M+K]+ 459.11154 198.6
[M+H-H2O]+ 403.14564 189.2
[M+HCOO]- 465.14658 208.4
[M+CH3COO]- 479.16223 232.0
[M+Na-2H]- 441.12305 203.1
[M]+ 420.14783 206.6
[M]- 420.14893 206.6
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.