CID 15955820

Schembl6496069

Structural Information

Molecular Formula
C22H19N3O4
SMILES
CC1=C(C=CC2=C1C(=O)OC(=N2)NCCC3=CC=CC=C3)NC(=O)C4=CC=CO4
InChI
InChI=1S/C22H19N3O4/c1-14-16(24-20(26)18-8-5-13-28-18)9-10-17-19(14)21(27)29-22(25-17)23-12-11-15-6-3-2-4-7-15/h2-10,13H,11-12H2,1H3,(H,23,25)(H,24,26)
InChIKey
TZTITUVUSQFFEC-UHFFFAOYSA-N
Compound name
N-[5-methyl-4-oxo-2-(2-phenylethylamino)-3,1-benzoxazin-6-yl]furan-2-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

8
Patents

389.13754 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 390.14482 193.1
[M+Na]+ 412.12676 201.5
[M-H]- 388.13026 204.7
[M+NH4]+ 407.17136 202.2
[M+K]+ 428.10070 198.4
[M+H-H2O]+ 372.13480 182.9
[M+HCOO]- 434.13574 216.6
[M+CH3COO]- 448.15139 203.9
[M+Na-2H]- 410.11221 198.4
[M]+ 389.13699 198.6
[M]- 389.13809 198.6
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