CID 395035

Nsc699219

Structural Information

Molecular Formula
C19H15ClN6O2
SMILES
C1CN(CCN1C2=CC=C(C=C2)[N+](=O)[O-])C3=NC4=C(C=C(C=C4)Cl)N=C3C#N
InChI
InChI=1S/C19H15ClN6O2/c20-13-1-6-16-17(11-13)22-18(12-21)19(23-16)25-9-7-24(8-10-25)14-2-4-15(5-3-14)26(27)28/h1-6,11H,7-10H2
InChIKey
LVMRJHSZXZHQMG-UHFFFAOYSA-N
Compound name
7-chloro-3-[4-(4-nitrophenyl)piperazin-1-yl]quinoxaline-2-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

394.0945 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 395.10178 192.8
[M+Na]+ 417.08372 200.6
[M-H]- 393.08722 193.9
[M+NH4]+ 412.12832 196.9
[M+K]+ 433.05766 187.3
[M+H-H2O]+ 377.09176 177.4
[M+HCOO]- 439.09270 199.2
[M+CH3COO]- 453.10835 223.5
[M+Na-2H]- 415.06917 196.9
[M]+ 394.09395 183.9
[M]- 394.09505 183.9
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.