CID 176445531

Brd4 bd1 ligand pb006

Structural Information

Molecular Formula
C20H19FN4O3
SMILES
CC1=CC(=O)NC2=C1C=C(C=C2)NC(=O)C3=C(N=C(C=C3)F)N4CCOCC4
InChI
InChI=1S/C20H19FN4O3/c1-12-10-18(26)23-16-4-2-13(11-15(12)16)22-20(27)14-3-5-17(21)24-19(14)25-6-8-28-9-7-25/h2-5,10-11H,6-9H2,1H3,(H,22,27)(H,23,26)
InChIKey
VVQORRVLAWIWLO-UHFFFAOYSA-N
Compound name
6-fluoro-N-(4-methyl-2-oxo-1H-quinolin-6-yl)-2-morpholin-4-ylpyridine-3-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

382.1441 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 383.15138 192.4
[M+Na]+ 405.13332 199.3
[M-H]- 381.13682 196.7
[M+NH4]+ 400.17792 197.9
[M+K]+ 421.10726 193.4
[M+H-H2O]+ 365.14136 179.4
[M+HCOO]- 427.14230 204.4
[M+CH3COO]- 441.15795 199.8
[M+Na-2H]- 403.11877 194.8
[M]+ 382.14355 188.0
[M]- 382.14465 188.0
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.