CID 122599280

Lartesertib

Structural Information

Molecular Formula
C23H21FN6O3
SMILES
CC1=NN(C=C1C2=C(C=C3C(=C2)C4=C(C=N3)N(C(=O)N4C5=C(C=NC=C5OC)F)C)OC)C
InChI
InChI=1S/C23H21FN6O3/c1-12-15(11-28(2)27-12)13-6-14-17(7-19(13)32-4)26-9-18-21(14)30(23(31)29(18)3)22-16(24)8-25-10-20(22)33-5/h6-11H,1-5H3
InChIKey
WNEFOSMCGCLLJU-UHFFFAOYSA-N
Compound name
8-(1,3-dimethylpyrazol-4-yl)-1-(3-fluoro-5-methoxypyridin-4-yl)-7-methoxy-3-methylimidazo[4,5-c]quinolin-2-one
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

2
References

60
Patents

448.16592 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 449.17320 213.2
[M+Na]+ 471.15514 229.2
[M-H]- 447.15864 219.6
[M+NH4]+ 466.19974 220.6
[M+K]+ 487.12908 220.9
[M+H-H2O]+ 431.16318 200.9
[M+HCOO]- 493.16412 230.0
[M+CH3COO]- 507.17977 222.9
[M+Na-2H]- 469.14059 211.1
[M]+ 448.16537 223.5
[M]- 448.16647 223.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe