CID 176082

108401-71-4

Structural Information

Molecular Formula
C17H25N3O2
SMILES
CCN(CC)C1=NC2=CC=CC=C2OC1C(=O)N(CC)CC
InChI
InChI=1S/C17H25N3O2/c1-5-19(6-2)16-15(17(21)20(7-3)8-4)22-14-12-10-9-11-13(14)18-16/h9-12,15H,5-8H2,1-4H3
InChIKey
JPIIALBXUIEHAC-UHFFFAOYSA-N
Compound name
3-(diethylamino)-N,N-diethyl-2H-1,4-benzoxazine-2-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

303.19467 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 304.20195 174.3
[M+Na]+ 326.18389 185.2
[M+NH4]+ 321.22849 181.4
[M+K]+ 342.15783 179.3
[M-H]- 302.18739 178.6
[M+Na-2H]- 324.16934 178.6
[M]+ 303.19412 176.9
[M]- 303.19522 176.9
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.