CID 38205

Icr 406

Structural Information

Molecular Formula
C24H32Cl2N4O2
SMILES
CCCCOC1=NC2=C(C3=C(C=C(C=C3)Cl)N=C2C=C1)NCCOCCN(CC)CCCl
InChI
InChI=1S/C24H32Cl2N4O2/c1-3-5-14-32-22-9-8-20-24(29-22)23(19-7-6-18(26)17-21(19)28-20)27-11-15-31-16-13-30(4-2)12-10-25/h6-9,17H,3-5,10-16H2,1-2H3,(H,27,28)
InChIKey
XRFUKZKGUOQDHP-UHFFFAOYSA-N
Compound name
2-butoxy-7-chloro-N-[2-[2-[2-chloroethyl(ethyl)amino]ethoxy]ethyl]benzo[b][1,5]naphthyridin-10-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

478.19025 Da
Monoisotopic Mass

5.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 479.19753 214.4
[M+Na]+ 501.17947 221.5
[M-H]- 477.18297 216.4
[M+NH4]+ 496.22407 223.4
[M+K]+ 517.15341 214.4
[M+H-H2O]+ 461.18751 204.0
[M+HCOO]- 523.18845 225.1
[M+CH3COO]- 537.20410 244.7
[M+Na-2H]- 499.16492 218.2
[M]+ 478.18970 226.7
[M]- 478.19080 226.7
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.