CID 56847587

M3541

Structural Information

Molecular Formula
C23H17FN6O2
SMILES
CN1C=C(C=N1)C2=C(C=C3C(=C2)C4=C(C=N3)N(C(=O)N4C5=C(C=C(C=C5)C#N)F)C)OC
InChI
InChI=1S/C23H17FN6O2/c1-28-12-14(10-27-28)15-7-16-18(8-21(15)32-3)26-11-20-22(16)30(23(31)29(20)2)19-5-4-13(9-25)6-17(19)24/h4-8,10-12H,1-3H3
InChIKey
OOCGUVCGJIUQKC-UHFFFAOYSA-N
Compound name
3-fluoro-4-[7-methoxy-3-methyl-8-(1-methylpyrazol-4-yl)-2-oxoimidazo[4,5-c]quinolin-1-yl]benzonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

51
Patents

428.1397 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 429.14698 203.0
[M+Na]+ 451.12892 218.9
[M-H]- 427.13242 205.9
[M+NH4]+ 446.17352 210.1
[M+K]+ 467.10286 207.8
[M+H-H2O]+ 411.13696 183.8
[M+HCOO]- 473.13790 217.0
[M+CH3COO]- 487.15355 210.7
[M+Na-2H]- 449.11437 201.1
[M]+ 428.13915 204.1
[M]- 428.14025 204.1
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

patents stripe