CID 397144

Nsc704543

Structural Information

Molecular Formula
C19H16N6O4
SMILES
C1CN(CCN1C2=CC=C(C=C2)[N+](=O)[O-])C3=C(N(C4=CC=CC=C4[N+]3=O)[O-])C#N
InChI
InChI=1S/C19H16N6O4/c20-13-18-19(24(27)17-4-2-1-3-16(17)23(18)26)22-11-9-21(10-12-22)14-5-7-15(8-6-14)25(28)29/h1-8H,9-12H2
InChIKey
HXTKFGFYTMCGAJ-UHFFFAOYSA-N
Compound name
3-[4-(4-nitrophenyl)piperazin-1-yl]-1-oxido-4-oxoquinoxalin-4-ium-2-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

392.1233 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 393.13058 198.0
[M+Na]+ 415.11252 203.9
[M-H]- 391.11602 198.7
[M+NH4]+ 410.15712 200.1
[M+K]+ 431.08646 187.8
[M+H-H2O]+ 375.12056 186.4
[M+HCOO]- 437.12150 207.3
[M+CH3COO]- 451.13715 216.4
[M+Na-2H]- 413.09797 203.5
[M]+ 392.12275 185.4
[M]- 392.12385 185.4
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.