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 176.4
[M+Na]+ 326.18389 181.2
[M-H]- 302.18739 182.1
[M+NH4]+ 321.22849 190.6
[M+K]+ 342.15783 181.3
[M+H-H2O]+ 286.19193 167.2
[M+HCOO]- 348.19287 197.0
[M+CH3COO]- 362.20852 217.7
[M+Na-2H]- 324.16934 179.9
[M]+ 303.19412 180.7
[M]- 303.19522 180.7
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.