CID 9839995

186268-11-1

Structural Information

Molecular Formula
C15H18N4O4
SMILES
CC1=C(C=C2C(=C1CN3CCCCC3)NC(=O)C(=O)N2)[N+](=O)[O-]
InChI
InChI=1S/C15H18N4O4/c1-9-10(8-18-5-3-2-4-6-18)13-11(7-12(9)19(22)23)16-14(20)15(21)17-13/h7H,2-6,8H2,1H3,(H,16,20)(H,17,21)
InChIKey
SUKSAXBKZZSCRI-UHFFFAOYSA-N
Compound name
6-methyl-7-nitro-5-(piperidin-1-ylmethyl)-1,4-dihydroquinoxaline-2,3-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

9
Patents

318.1328 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 319.140076 171.6
[M+Na]+ 341.122018 177.9
[M-H]- 317.125524 172.5
[M+NH4]+ 336.166623 180.5
[M+K]+ 357.095958 167.7
[M+H-H2O]+ 301.130060 166.4
[M+HCOO]- 363.131001 185.5
[M+CH3COO]- 377.146651 197.1
[M+Na-2H]- 339.107466 177.1
[M]+ 318.13225142 165.2
[M]- 318.13334858 165.2
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

patents stripe