CID 6447772

(e)-2-(3,5-dinitrostyryl)-4,4-dimethyl-2-oxazoline hydrochloride

Structural Information

Molecular Formula
C13H13N3O5
SMILES
CC1(COC(=N1)/C=C/C2=CC(=CC(=C2)[N+](=O)[O-])[N+](=O)[O-])C
InChI
InChI=1S/C13H13N3O5/c1-13(2)8-21-12(14-13)4-3-9-5-10(15(17)18)7-11(6-9)16(19)20/h3-7H,8H2,1-2H3/b4-3+
InChIKey
CGQDGONTTHPJJB-ONEGZZNKSA-N
Compound name
2-[(E)-2-(3,5-dinitrophenyl)ethenyl]-4,4-dimethyl-5H-1,3-oxazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

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References

0
Patents

291.0855 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 292.09278 167.2
[M+Na]+ 314.07472 179.8
[M+NH4]+ 309.11932 174.5
[M+K]+ 330.04866 179.5
[M-H]- 290.07822 172.6
[M+Na-2H]- 312.06017 172.8
[M]+ 291.08495 170.3
[M]- 291.08605 170.3
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.