CID 9570861

Brn 4554240

Structural Information

Molecular Formula
C17H23N3O4
SMILES
C/C(=N\OCCN1CCOCC1)/C2=CC3=C(C=C2)OCC(=O)N3C
InChI
InChI=1S/C17H23N3O4/c1-13(18-24-10-7-20-5-8-22-9-6-20)14-3-4-16-15(11-14)19(2)17(21)12-23-16/h3-4,11H,5-10,12H2,1-2H3/b18-13+
InChIKey
DGPTYCKDLNJNRT-QGOAFFKASA-N
Compound name
4-methyl-6-[(E)-C-methyl-N-(2-morpholin-4-ylethoxy)carbonimidoyl]-1,4-benzoxazin-3-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

333.16885 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 334.17613 180.4
[M+Na]+ 356.15807 184.5
[M-H]- 332.16157 186.3
[M+NH4]+ 351.20267 189.5
[M+K]+ 372.13201 184.1
[M+H-H2O]+ 316.16611 169.7
[M+HCOO]- 378.16705 194.3
[M+CH3COO]- 392.18270 214.4
[M+Na-2H]- 354.14352 183.8
[M]+ 333.16830 180.1
[M]- 333.16940 180.1
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.