CID 11978790

915020-55-2

Structural Information

Molecular Formula
C28H25F3N6O2
SMILES
CN1C2=CN=C3C=CC(=CC3=C2N(C1=O)C4=CC(=C(C=C4)N5CCNCC5)C(F)(F)F)C6=CN=C(C=C6)OC
InChI
InChI=1S/C28H25F3N6O2/c1-35-24-16-33-22-6-3-17(18-4-8-25(39-2)34-15-18)13-20(22)26(24)37(27(35)38)19-5-7-23(21(14-19)28(29,30)31)36-11-9-32-10-12-36/h3-8,13-16,32H,9-12H2,1-2H3
InChIKey
BMMXYEBLEBULND-UHFFFAOYSA-N
Compound name
8-(6-methoxy-3-pyridinyl)-3-methyl-1-[4-piperazin-1-yl-3-(trifluoromethyl)phenyl]imidazo[4,5-c]quinolin-2-one
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

40
References

4964
Patents

534.1991 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 535.20638 236.6
[M+Na]+ 557.18832 246.3
[M-H]- 533.19182 239.0
[M+NH4]+ 552.23292 236.1
[M+K]+ 573.16226 234.7
[M+H-H2O]+ 517.19636 219.2
[M+HCOO]- 579.19730 240.7
[M+CH3COO]- 593.21295 240.1
[M+Na-2H]- 555.17377 234.4
[M]+ 534.19855 232.9
[M]- 534.19965 232.9
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.