CID 217492

Icr 381

Structural Information

Molecular Formula
C22H28Cl2N4O
SMILES
CCCCOC1=NC2=C(C3=C(C=C(C=C3)Cl)N=C2C=C1)NCCN(CC)CCCl
InChI
InChI=1S/C22H28Cl2N4O/c1-3-5-14-29-20-9-8-18-22(27-20)21(25-11-13-28(4-2)12-10-23)17-7-6-16(24)15-19(17)26-18/h6-9,15H,3-5,10-14H2,1-2H3,(H,25,26)
InChIKey
OAZVPDFCDQEURO-UHFFFAOYSA-N
Compound name
N-(2-butoxy-7-chlorobenzo[b][1,5]naphthyridin-10-yl)-N'-(2-chloroethyl)-N'-ethylethane-1,2-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

434.16403 Da
Monoisotopic Mass

5.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 435.17131 203.6
[M+Na]+ 457.15325 211.8
[M-H]- 433.15675 205.9
[M+NH4]+ 452.19785 214.5
[M+K]+ 473.12719 204.4
[M+H-H2O]+ 417.16129 193.8
[M+HCOO]- 479.16223 214.8
[M+CH3COO]- 493.17788 237.1
[M+Na-2H]- 455.13870 208.2
[M]+ 434.16348 213.9
[M]- 434.16458 213.9
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.