CID 9575365

[(1e)-1-aza-2-(4-nitrophenyl)vinyl](3-phenylquinoxalin-2-yl)amine

Structural Information

Molecular Formula
C21H15N5O2
SMILES
C1=CC=C(C=C1)C2=NC3=CC=CC=C3N=C2N/N=C/C4=CC=C(C=C4)[N+](=O)[O-]
InChI
InChI=1S/C21H15N5O2/c27-26(28)17-12-10-15(11-13-17)14-22-25-21-20(16-6-2-1-3-7-16)23-18-8-4-5-9-19(18)24-21/h1-14H,(H,24,25)/b22-14+
InChIKey
RLJKPXWYWUSSMO-HYARGMPZSA-N
Compound name
N-[(E)-(4-nitrophenyl)methylideneamino]-3-phenylquinoxalin-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

369.1226 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 370.12988 183.3
[M+Na]+ 392.11182 188.5
[M-H]- 368.11532 192.1
[M+NH4]+ 387.15642 191.7
[M+K]+ 408.08576 177.9
[M+H-H2O]+ 352.11986 175.0
[M+HCOO]- 414.12080 207.6
[M+CH3COO]- 428.13645 217.9
[M+Na-2H]- 390.09727 194.5
[M]+ 369.12205 180.9
[M]- 369.12315 180.9
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.