CID 394344

Nsc697714

Structural Information

Molecular Formula
C19H16N6O2
SMILES
C1CN(CCN1C2=CC=C(C=C2)[N+](=O)[O-])C3=NC4=CC=CC=C4N=C3C#N
InChI
InChI=1S/C19H16N6O2/c20-13-18-19(22-17-4-2-1-3-16(17)21-18)24-11-9-23(10-12-24)14-5-7-15(8-6-14)25(26)27/h1-8H,9-12H2
InChIKey
PAVKONCGUPJJRO-UHFFFAOYSA-N
Compound name
3-[4-(4-nitrophenyl)piperazin-1-yl]quinoxaline-2-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

360.13348 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 361.14076 185.9
[M+Na]+ 383.12270 192.5
[M-H]- 359.12620 187.1
[M+NH4]+ 378.16730 190.3
[M+K]+ 399.09664 180.0
[M+H-H2O]+ 343.13074 170.0
[M+HCOO]- 405.13168 196.4
[M+CH3COO]- 419.14733 219.3
[M+Na-2H]- 381.10815 191.2
[M]+ 360.13293 174.6
[M]- 360.13403 174.6
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.