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]+ 389.172036 195.9
[M+Na]+ 411.153978 203.2
[M-H]- 387.157484 197.5
[M+NH4]+ 406.198583 199.8
[M+K]+ 427.127918 190.6
[M+H-H2O]+ 371.162020 180.2
[M+HCOO]- 433.162961 205.8
[M+CH3COO]- 447.178611 226.6
[M+Na-2H]- 409.139426 199.0
[M]+ 388.16421142 185.9
[M]- 388.16530858 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.