CID 156498110

Bleximenib

Structural Information

Molecular Formula
C32H50FN7O3
SMILES
CCN(C(C)C)C(=O)C1=C(C=CC(=C1)F)OC2=C(N=CN=N2)N3CCC4(C3)CN(C4)[C@H](CCCN(C)CCOC)C(C)C
InChI
InChI=1S/C32H50FN7O3/c1-8-40(24(4)5)31(41)26-18-25(33)11-12-28(26)43-30-29(34-22-35-36-30)38-15-13-32(19-38)20-39(21-32)27(23(2)3)10-9-14-37(6)16-17-42-7/h11-12,18,22-24,27H,8-10,13-17,19-21H2,1-7H3/t27-/m1/s1
InChIKey
PDUGAXSIWNMIBQ-HHHXNRCGSA-N
Compound name
N-ethyl-5-fluoro-2-[[5-[2-[(3R)-6-[2-methoxyethyl(methyl)amino]-2-methylhexan-3-yl]-2,7-diazaspiro[3.4]octan-7-yl]-1,2,4-triazin-6-yl]oxy]-N-propan-2-ylbenzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

27
Patents

599.39594 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 600.40322 250.5
[M+Na]+ 622.38516 251.9
[M+NH4]+ 617.42976 248.9
[M+K]+ 638.35910 249.7
[M-H]- 598.38866 248.7
[M+Na-2H]- 620.37061 250.6
[M]+ 599.39539 248.6
[M]- 599.39649 248.6
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