CID 5481002

Chembl65483

Structural Information

Molecular Formula
C21H24N4O3
SMILES
CC1=C(C=CC2=C1C(=O)OC(=N2)N[C@H](C)C3=CC=CC=C3)NC(=O)CN(C)C
InChI
InChI=1S/C21H24N4O3/c1-13-16(23-18(26)12-25(3)4)10-11-17-19(13)20(27)28-21(24-17)22-14(2)15-8-6-5-7-9-15/h5-11,14H,12H2,1-4H3,(H,22,24)(H,23,26)/t14-/m1/s1
InChIKey
BZJQWZIPYSIFCK-CQSZACIVSA-N
Compound name
2-(dimethylamino)-N-[5-methyl-4-oxo-2-[[(1R)-1-phenylethyl]amino]-3,1-benzoxazin-6-yl]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

380.18484 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 381.19212 194.2
[M+Na]+ 403.17406 199.9
[M-H]- 379.17756 202.5
[M+NH4]+ 398.21866 203.8
[M+K]+ 419.14800 198.0
[M+H-H2O]+ 363.18210 183.5
[M+HCOO]- 425.18304 215.9
[M+CH3COO]- 439.19869 232.8
[M+Na-2H]- 401.15951 197.8
[M]+ 380.18429 197.7
[M]- 380.18539 197.7
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.