CID 118224491

Emavusertib

Structural Information

Molecular Formula
C24H25N7O5
SMILES
CC1=NC=CC(=C1)C2=NC(=CO2)C(=O)NC3=CC4=C(N=C3N5CC[C@H](C5)O)N=C(O4)N6CCOCC6
InChI
InChI=1S/C24H25N7O5/c1-14-10-15(2-4-25-14)23-27-18(13-35-23)22(33)26-17-11-19-20(28-21(17)31-5-3-16(32)12-31)29-24(36-19)30-6-8-34-9-7-30/h2,4,10-11,13,16,32H,3,5-9,12H2,1H3,(H,26,33)/t16-/m1/s1
InChIKey
SJHNWSAWWOAWJH-MRXNPFEDSA-N
Compound name
N-[5-[(3R)-3-hydroxypyrrolidin-1-yl]-2-morpholin-4-yl-[1,3]oxazolo[4,5-b]pyridin-6-yl]-2-(2-methylpyridin-4-yl)-1,3-oxazole-4-carboxamide
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

2
References

141
Patents

491.1917 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 492.19898 210.2
[M+Na]+ 514.18092 222.8
[M+NH4]+ 509.22552 213.5
[M+K]+ 530.15486 225.7
[M-H]- 490.18442 218.8
[M+Na-2H]- 512.16637 214.7
[M]+ 491.19115 214.2
[M]- 491.19225 214.2
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