CID 70798655

Serabelisib

Structural Information

Molecular Formula
C19H17N5O3
SMILES
C1COCCN1C(=O)C2=CN=C3N2C=C(C=C3)C4=CC5=C(C=C4)OC(=N5)N
InChI
InChI=1S/C19H17N5O3/c20-19-22-14-9-12(1-3-16(14)27-19)13-2-4-17-21-10-15(24(17)11-13)18(25)23-5-7-26-8-6-23/h1-4,9-11H,5-8H2,(H2,20,22)
InChIKey
BLGWHBSBBJNKJO-UHFFFAOYSA-N
Compound name
[6-(2-amino-1,3-benzoxazol-5-yl)imidazo[1,2-a]pyridin-3-yl]-morpholin-4-ylmethanone
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

11
References

4222
Patents

363.13315 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 364.14043 182.0
[M+Na]+ 386.12237 191.7
[M-H]- 362.12587 190.6
[M+NH4]+ 381.16697 191.0
[M+K]+ 402.09631 188.1
[M+H-H2O]+ 346.13041 171.9
[M+HCOO]- 408.13135 198.3
[M+CH3COO]- 422.14700 192.3
[M+Na-2H]- 384.10782 184.2
[M]+ 363.13260 184.1
[M]- 363.13370 184.1
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