CID 171775678

Lomonitinib

Structural Information

Molecular Formula
C27H24N4O2
SMILES
COC1=C(C=C(C=C1)C2=NN(C3=C2C=NC4=CC=CC=C43)C5=CC6=C(CCNC6)C=C5)OC
InChI
InChI=1S/C27H24N4O2/c1-32-24-10-8-18(14-25(24)33-2)26-22-16-29-23-6-4-3-5-21(23)27(22)31(30-26)20-9-7-17-11-12-28-15-19(17)13-20/h3-10,13-14,16,28H,11-12,15H2,1-2H3
InChIKey
AAIAGDXMETYTJE-UHFFFAOYSA-N
Compound name
3-(3,4-dimethoxyphenyl)-1-(1,2,3,4-tetrahydroisoquinolin-7-yl)pyrazolo[4,3-c]quinoline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

436.1899 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 437.19718 208.9
[M+Na]+ 459.17912 217.7
[M-H]- 435.18262 214.8
[M+NH4]+ 454.22372 216.1
[M+K]+ 475.15306 208.4
[M+H-H2O]+ 419.18716 195.2
[M+HCOO]- 481.18810 221.0
[M+CH3COO]- 495.20375 215.9
[M+Na-2H]- 457.16457 211.4
[M]+ 436.18935 209.6
[M]- 436.19045 209.6
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.