CID 9570860

Brn 4534442

Structural Information

Molecular Formula
C17H25N3O3
SMILES
CCN(CC)CCO/N=C(\C)/C1=CC2=C(C=C1)OCC(=O)N2C
InChI
InChI=1S/C17H25N3O3/c1-5-20(6-2)9-10-23-18-13(3)14-7-8-16-15(11-14)19(4)17(21)12-22-16/h7-8,11H,5-6,9-10,12H2,1-4H3/b18-13+
InChIKey
VPCIHXMYBSVPFI-QGOAFFKASA-N
Compound name
6-[(E)-N-[2-(diethylamino)ethoxy]-C-methylcarbonimidoyl]-4-methyl-1,4-benzoxazin-3-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

319.1896 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 320.19688 178.3
[M+Na]+ 342.17882 183.4
[M-H]- 318.18232 183.9
[M+NH4]+ 337.22342 191.9
[M+K]+ 358.15276 183.2
[M+H-H2O]+ 302.18686 169.1
[M+HCOO]- 364.18780 198.9
[M+CH3COO]- 378.20345 220.4
[M+Na-2H]- 340.16427 181.5
[M]+ 319.18905 183.0
[M]- 319.19015 183.0
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

No patent data available for this compound.