CID 6047556

2,6-bis(3-nitrostyryl)pyridine

Structural Information

Molecular Formula
C21H15N3O4
SMILES
C1=CC(=CC(=C1)[N+](=O)[O-])/C=C/C2=NC(=CC=C2)/C=C/C3=CC(=CC=C3)[N+](=O)[O-]
InChI
InChI=1S/C21H15N3O4/c25-23(26)20-8-1-4-16(14-20)10-12-18-6-3-7-19(22-18)13-11-17-5-2-9-21(15-17)24(27)28/h1-15H/b12-10+,13-11+
InChIKey
DNPDMZSJBXJNBH-DCIPZJNNSA-N
Compound name
2,6-bis[(E)-2-(3-nitrophenyl)ethenyl]pyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

373.10626 Da
Monoisotopic Mass

5.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 374.11354 191.6
[M+Na]+ 396.09548 195.1
[M-H]- 372.09898 199.1
[M+NH4]+ 391.14008 199.0
[M+K]+ 412.06942 180.6
[M+H-H2O]+ 356.10352 189.0
[M+HCOO]- 418.10446 214.4
[M+CH3COO]- 432.12011 205.6
[M+Na-2H]- 394.08093 198.1
[M]+ 373.10571 187.2
[M]- 373.10681 187.2
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.