CID 90647162

Brd4 inhibitor-10

Structural Information

Molecular Formula
C25H27N5O2
SMILES
CC1=CC(=NN(C1=O)C)C2=NC3=CN=C(C=C3N2[C@@H](C)C4=CC=CC=C4)C5CCOCC5
InChI
InChI=1S/C25H27N5O2/c1-16-13-21(28-29(3)25(16)31)24-27-22-15-26-20(19-9-11-32-12-10-19)14-23(22)30(24)17(2)18-7-5-4-6-8-18/h4-8,13-15,17,19H,9-12H2,1-3H3/t17-/m0/s1
InChIKey
QNFGQQDKBYVNAS-KRWDZBQOSA-N
Compound name
2,4-dimethyl-6-[6-(oxan-4-yl)-1-[(1S)-1-phenylethyl]imidazo[4,5-c]pyridin-2-yl]pyridazin-3-one
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

4
References

11
Patents

429.21646 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 430.22374 205.9
[M+Na]+ 452.20568 223.6
[M+NH4]+ 447.25028 211.9
[M+K]+ 468.17962 217.4
[M-H]- 428.20918 213.3
[M+Na-2H]- 450.19113 214.6
[M]+ 429.21591 210.7
[M]- 429.21701 210.7
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