CID 90351311

Gsk481

Structural Information

Molecular Formula
C21H19N3O4
SMILES
CN1C2=CC=CC=C2OC[C@@H](C1=O)NC(=O)C3=NOC(=C3)CC4=CC=CC=C4
InChI
InChI=1S/C21H19N3O4/c1-24-18-9-5-6-10-19(18)27-13-17(21(24)26)22-20(25)16-12-15(28-23-16)11-14-7-3-2-4-8-14/h2-10,12,17H,11,13H2,1H3,(H,22,25)/t17-/m0/s1
InChIKey
KNOUWGGQMADIBV-KRWDZBQOSA-N
Compound name
5-benzyl-N-[(3S)-5-methyl-4-oxo-2,3-dihydro-1,5-benzoxazepin-3-yl]-1,2-oxazole-3-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

74
Patents

377.13754 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 378.144816 190.6
[M+Na]+ 400.126758 196.7
[M-H]- 376.130264 201.1
[M+NH4]+ 395.171363 198.6
[M+K]+ 416.100698 198.3
[M+H-H2O]+ 360.134800 180.9
[M+HCOO]- 422.135741 207.7
[M+CH3COO]- 436.151391 200.0
[M+Na-2H]- 398.112206 192.5
[M]+ 377.13699142 189.7
[M]- 377.13808858 189.7
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

No patent data available for this compound.