CID 45051363

853351-27-6

Structural Information

Molecular Formula
C21H18N2O4
SMILES
CC1=C(C(=CC=C1)C)NC(=O)/C=C/C2=CC=C(O2)C3=CC(=CC=C3)[N+](=O)[O-]
InChI
InChI=1S/C21H18N2O4/c1-14-5-3-6-15(2)21(14)22-20(24)12-10-18-9-11-19(27-18)16-7-4-8-17(13-16)23(25)26/h3-13H,1-2H3,(H,22,24)/b12-10+
InChIKey
UPTBEANFCOOSIF-ZRDIBKRKSA-N
Compound name
(E)-N-(2,6-dimethylphenyl)-3-[5-(3-nitrophenyl)furan-2-yl]prop-2-enamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

362.12665 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 363.13393 186.6
[M+Na]+ 385.11587 200.7
[M+NH4]+ 380.16047 193.2
[M+K]+ 401.08981 197.9
[M-H]- 361.11937 194.9
[M+Na-2H]- 383.10132 194.2
[M]+ 362.12610 190.8
[M]- 362.12720 190.8
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.