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 166.2
[M+Na]+ 316.12676 172.1
[M-H]- 292.13026 171.3
[M+NH4]+ 311.17136 179.8
[M+K]+ 332.10070 168.0
[M+H-H2O]+ 276.13480 162.9
[M+HCOO]- 338.13574 185.9
[M+CH3COO]- 352.15139 205.8
[M+Na-2H]- 314.11221 171.3
[M]+ 293.13699 167.2
[M]- 293.13809 167.2
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.