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]+ 294.144816 166.2
[M+Na]+ 316.126758 172.1
[M-H]- 292.130264 171.3
[M+NH4]+ 311.171363 179.8
[M+K]+ 332.100698 168.0
[M+H-H2O]+ 276.134800 162.9
[M+HCOO]- 338.135741 185.9
[M+CH3COO]- 352.151391 205.8
[M+Na-2H]- 314.112206 171.3
[M]+ 293.13699142 167.2
[M]- 293.13808858 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.