CID 44556193

Azd-8418

Structural Information

Molecular Formula
C19H20ClN3O3
SMILES
C[C@@H](C1CC1)N2CC3=C(C2=O)C(=CC(=C3)C4=CC(=NO4)C(=O)N(C)C)Cl
InChI
InChI=1S/C19H20ClN3O3/c1-10(11-4-5-11)23-9-13-6-12(7-14(20)17(13)19(23)25)16-8-15(21-26-16)18(24)22(2)3/h6-8,10-11H,4-5,9H2,1-3H3/t10-/m0/s1
InChIKey
MCPBSUCAISQZQK-JTQLQIEISA-N
Compound name
5-[7-chloro-2-[(1S)-1-cyclopropylethyl]-1-oxo-3H-isoindol-5-yl]-N,N-dimethyl-1,2-oxazole-3-carboxamide
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

0
References

21
Patents

373.11932 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 374.12660 188.0
[M+Na]+ 396.10854 198.2
[M-H]- 372.11204 198.9
[M+NH4]+ 391.15314 197.4
[M+K]+ 412.08248 193.3
[M+H-H2O]+ 356.11658 181.0
[M+HCOO]- 418.11752 202.8
[M+CH3COO]- 432.13317 223.7
[M+Na-2H]- 394.09399 184.5
[M]+ 373.11877 196.4
[M]- 373.11987 196.4
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