CID 356257

Nsc611423

Structural Information

Molecular Formula
C25H25ClN4O2
SMILES
CN1CCN(CC1)C2=NC3=NC4=CC(=C(C=C4C=C3C=C2C5=CC=C(C=C5)Cl)OC)OC
InChI
InChI=1S/C25H25ClN4O2/c1-29-8-10-30(11-9-29)25-20(16-4-6-19(26)7-5-16)13-18-12-17-14-22(31-2)23(32-3)15-21(17)27-24(18)28-25/h4-7,12-15H,8-11H2,1-3H3
InChIKey
NNNHQYRPHYGJNI-UHFFFAOYSA-N
Compound name
3-(4-chlorophenyl)-7,8-dimethoxy-2-(4-methylpiperazin-1-yl)benzo[b][1,8]naphthyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

448.1666 Da
Monoisotopic Mass

5.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 449.17388 213.3
[M+Na]+ 471.15582 223.0
[M-H]- 447.15932 218.6
[M+NH4]+ 466.20042 219.2
[M+K]+ 487.12976 214.3
[M+H-H2O]+ 431.16386 198.7
[M+HCOO]- 493.16480 220.9
[M+CH3COO]- 507.18045 220.2
[M+Na-2H]- 469.14127 215.5
[M]+ 448.16605 216.8
[M]- 448.16715 216.8
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.