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]+ 248.13936 157.3
[M+Na]+ 270.12130 164.0
[M-H]- 246.12480 163.9
[M+NH4]+ 265.16590 173.9
[M+K]+ 286.09524 165.0
[M+H-H2O]+ 230.12934 149.0
[M+HCOO]- 292.13028 179.4
[M+CH3COO]- 306.14593 205.7
[M+Na-2H]- 268.10675 163.0
[M]+ 247.13153 160.3
[M]- 247.13263 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.