CID 148288

Icr 355

Structural Information

Molecular Formula
C23H30Cl2N4O
SMILES
CCCCOC1=NC2=C(C3=C(C=C(C=C3)Cl)N=C2C=C1)NCCCN(CC)CCCl
InChI
InChI=1S/C23H30Cl2N4O/c1-3-5-15-30-21-10-9-19-23(28-21)22(18-8-7-17(25)16-20(18)27-19)26-12-6-13-29(4-2)14-11-24/h7-10,16H,3-6,11-15H2,1-2H3,(H,26,27)
InChIKey
YLQOANKELSHGPB-UHFFFAOYSA-N
Compound name
N-(2-butoxy-7-chlorobenzo[b][1,5]naphthyridin-10-yl)-N'-(2-chloroethyl)-N'-ethylpropane-1,3-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

448.17966 Da
Monoisotopic Mass

6.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 449.18694 208.0
[M+Na]+ 471.16888 215.8
[M-H]- 447.17238 210.1
[M+NH4]+ 466.21348 218.3
[M+K]+ 487.14282 208.1
[M+H-H2O]+ 431.17692 198.0
[M+HCOO]- 493.17786 218.9
[M+CH3COO]- 507.19351 239.9
[M+Na-2H]- 469.15433 212.1
[M]+ 448.17911 218.7
[M]- 448.18021 218.7
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.