CID 395037

Nsc699221

Structural Information

Molecular Formula
C21H20N6O2
SMILES
CC1=CC2=C(C=C1C)N=C(C(=N2)C#N)N3CCN(CC3)C4=CC=C(C=C4)[N+](=O)[O-]
InChI
InChI=1S/C21H20N6O2/c1-14-11-18-19(12-15(14)2)24-21(20(13-22)23-18)26-9-7-25(8-10-26)16-3-5-17(6-4-16)27(28)29/h3-6,11-12H,7-10H2,1-2H3
InChIKey
LLXVMAZTEPNSQR-UHFFFAOYSA-N
Compound name
6,7-dimethyl-3-[4-(4-nitrophenyl)piperazin-1-yl]quinoxaline-2-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

388.16476 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 389.17204 195.9
[M+Na]+ 411.15398 203.2
[M-H]- 387.15748 197.5
[M+NH4]+ 406.19858 199.8
[M+K]+ 427.12792 190.6
[M+H-H2O]+ 371.16202 180.2
[M+HCOO]- 433.16296 205.8
[M+CH3COO]- 447.17861 226.6
[M+Na-2H]- 409.13943 199.0
[M]+ 388.16421 185.9
[M]- 388.16531 185.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.