CID 56847587

Dna-pk-in-11

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
2
Annotation Hits

0
References

41
Patents

428.1397 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 429.146976 203.0
[M+Na]+ 451.128918 218.9
[M-H]- 427.132424 205.9
[M+NH4]+ 446.173523 210.1
[M+K]+ 467.102858 207.8
[M+H-H2O]+ 411.136960 183.8
[M+HCOO]- 473.137901 217.0
[M+CH3COO]- 487.153551 210.7
[M+Na-2H]- 449.114366 201.1
[M]+ 428.13915142 204.1
[M]- 428.14024858 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