CID 3065545

108401-70-3

Structural Information

Molecular Formula
C13H17N3O2
SMILES
CN(C)C1=NC2=CC=CC=C2OC1C(=O)N(C)C
InChI
InChI=1S/C13H17N3O2/c1-15(2)12-11(13(17)16(3)4)18-10-8-6-5-7-9(10)14-12/h5-8,11H,1-4H3
InChIKey
LIWMTSCRBNMNFU-UHFFFAOYSA-N
Compound name
3-(dimethylamino)-N,N-dimethyl-2H-1,4-benzoxazine-2-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

247.13208 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 248.139356 157.3
[M+Na]+ 270.121298 164.0
[M-H]- 246.124804 163.9
[M+NH4]+ 265.165903 173.9
[M+K]+ 286.095238 165.0
[M+H-H2O]+ 230.129340 149.0
[M+HCOO]- 292.130281 179.4
[M+CH3COO]- 306.145931 205.7
[M+Na-2H]- 268.106746 163.0
[M]+ 247.13153142 160.3
[M]- 247.13262858 160.3
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.