CID 168429555

Menin-mll inhibitor 27

Structural Information

Molecular Formula
C31H35FN8O2
SMILES
C1C[C@H]2CN[C@@H]([C@H]2C1)C(=O)N3CCC4(CC3)CN(C4)C5=C(N=NC=N5)OC6=C(C=C(C=C6)F)C7=CN=CN=C7C8CC8
InChI
InChI=1S/C31H35FN8O2/c32-21-6-7-25(23(12-21)24-14-33-17-35-26(24)19-4-5-19)42-29-28(36-18-37-38-29)40-15-31(16-40)8-10-39(11-9-31)30(41)27-22-3-1-2-20(22)13-34-27/h6-7,12,14,17-20,22,27,34H,1-5,8-11,13,15-16H2/t20-,22-,27-/m0/s1
InChIKey
XDXAYPYOHXUEAM-CLHVYKLBSA-N
Compound name
[(3S,3aS,6aR)-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrol-3-yl]-[2-[6-[2-(4-cyclopropylpyrimidin-5-yl)-4-fluorophenoxy]-1,2,4-triazin-5-yl]-2,7-diazaspiro[3.5]nonan-7-yl]methanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

570.2867 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 571.29398 235.7
[M+Na]+ 593.27592 245.2
[M+NH4]+ 588.32052 237.9
[M+K]+ 609.24986 242.6
[M-H]- 569.27942 244.4
[M+Na-2H]- 591.26137 241.7
[M]+ 570.28615 239.4
[M]- 570.28725 239.4
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