CID 58111253

Butyl (2e)-3-[3-(methylamino)-4-nitrophenyl]-2-propenoate

Structural Information

Molecular Formula
C14H18N2O4
SMILES
CCCCOC(=O)/C=C/C1=CC(=C(C=C1)[N+](=O)[O-])NC
InChI
InChI=1S/C14H18N2O4/c1-3-4-9-20-14(17)8-6-11-5-7-13(16(18)19)12(10-11)15-2/h5-8,10,15H,3-4,9H2,1-2H3/b8-6+
InChIKey
GKVRFECEBUGEQT-SOFGYWHQSA-N
Compound name
butyl (E)-3-[3-(methylamino)-4-nitrophenyl]prop-2-enoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

25
Patents

278.12665 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 279.13393 163.7
[M+Na]+ 301.11587 174.5
[M+NH4]+ 296.16047 169.5
[M+K]+ 317.08981 171.2
[M-H]- 277.11937 165.9
[M+Na-2H]- 299.10132 167.6
[M]+ 278.12610 165.4
[M]- 278.12720 165.4
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

patents stripe