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

7
Patents

318.1328 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 319.14008 171.6
[M+Na]+ 341.12202 177.9
[M-H]- 317.12552 172.5
[M+NH4]+ 336.16662 180.5
[M+K]+ 357.09596 167.7
[M+H-H2O]+ 301.13006 166.4
[M+HCOO]- 363.13100 185.5
[M+CH3COO]- 377.14665 197.1
[M+Na-2H]- 339.10747 177.1
[M]+ 318.13225 165.2
[M]- 318.13335 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