CID 42341

57462-86-9

Structural Information

Molecular Formula
C14H19N3O4
SMILES
CC1C(=O)N(C2=C(O1)C=CC(=C2)[N+](=O)[O-])CC(C)N(C)C
InChI
InChI=1S/C14H19N3O4/c1-9(15(3)4)8-16-12-7-11(17(19)20)5-6-13(12)21-10(2)14(16)18/h5-7,9-10H,8H2,1-4H3
InChIKey
JRGMCMOJUBEJRH-UHFFFAOYSA-N
Compound name
4-[2-(dimethylamino)propyl]-2-methyl-6-nitro-1,4-benzoxazin-3-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

293.13754 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 294.14482 165.1
[M+Na]+ 316.12676 176.9
[M+NH4]+ 311.17136 171.6
[M+K]+ 332.10070 175.1
[M-H]- 292.13026 169.3
[M+Na-2H]- 314.11221 167.8
[M]+ 293.13699 167.7
[M]- 293.13809 167.7
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.