CID 15955822

Schembl6498375

Structural Information

Molecular Formula
C21H24N4O3
SMILES
CC1=C(C=CC2=C1C(=O)OC(=N2)NCCC3=CC=CC=C3)NC(=O)CN(C)C
InChI
InChI=1S/C21H24N4O3/c1-14-16(23-18(26)13-25(2)3)9-10-17-19(14)20(27)28-21(24-17)22-12-11-15-7-5-4-6-8-15/h4-10H,11-13H2,1-3H3,(H,22,24)(H,23,26)
InChIKey
QNEDCWQLFYTEFN-UHFFFAOYSA-N
Compound name
2-(dimethylamino)-N-[5-methyl-4-oxo-2-(2-phenylethylamino)-3,1-benzoxazin-6-yl]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

8
Patents

380.18484 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 381.19212 193.9
[M+Na]+ 403.17406 199.9
[M-H]- 379.17756 202.1
[M+NH4]+ 398.21866 203.6
[M+K]+ 419.14800 197.4
[M+H-H2O]+ 363.18210 183.0
[M+HCOO]- 425.18304 216.6
[M+CH3COO]- 439.19869 231.8
[M+Na-2H]- 401.15951 198.6
[M]+ 380.18429 198.0
[M]- 380.18539 198.0
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

patents stripe