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]+ 304.201946 176.4
[M+Na]+ 326.183888 181.2
[M-H]- 302.187394 182.1
[M+NH4]+ 321.228493 190.6
[M+K]+ 342.157828 181.3
[M+H-H2O]+ 286.191930 167.2
[M+HCOO]- 348.192871 197.0
[M+CH3COO]- 362.208521 217.7
[M+Na-2H]- 324.169336 179.9
[M]+ 303.19412142 180.7
[M]- 303.19521858 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.