CID 9926489

186268-07-5

Structural Information

Molecular Formula
C14H16N4O4
SMILES
CC1=C(C=C2C(=C1CN3CCCC3)NC(=O)C(=O)N2)[N+](=O)[O-]
InChI
InChI=1S/C14H16N4O4/c1-8-9(7-17-4-2-3-5-17)12-10(6-11(8)18(21)22)15-13(19)14(20)16-12/h6H,2-5,7H2,1H3,(H,15,19)(H,16,20)
InChIKey
WPTFOEGLXOPQJT-UHFFFAOYSA-N
Compound name
6-methyl-7-nitro-5-(pyrrolidin-1-ylmethyl)-1,4-dihydroquinoxaline-2,3-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

9
Patents

304.11716 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 305.12444 167.1
[M+Na]+ 327.10638 174.7
[M-H]- 303.10988 168.9
[M+NH4]+ 322.15098 178.6
[M+K]+ 343.08032 164.8
[M+H-H2O]+ 287.11442 163.1
[M+HCOO]- 349.11536 183.7
[M+CH3COO]- 363.13101 193.3
[M+Na-2H]- 325.09183 171.5
[M]+ 304.11661 162.6
[M]- 304.11771 162.6
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