CID 45051365

853351-31-2

Structural Information

Molecular Formula
C22H20N2O4
SMILES
CCC1=CC=CC(=C1NC(=O)/C=C/C2=CC=C(O2)C3=CC(=CC=C3)[N+](=O)[O-])C
InChI
InChI=1S/C22H20N2O4/c1-3-16-7-4-6-15(2)22(16)23-21(25)13-11-19-10-12-20(28-19)17-8-5-9-18(14-17)24(26)27/h4-14H,3H2,1-2H3,(H,23,25)/b13-11+
InChIKey
NUJURPFEHLYISU-ACCUITESSA-N
Compound name
(E)-N-(2-ethyl-6-methylphenyl)-3-[5-(3-nitrophenyl)furan-2-yl]prop-2-enamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

376.1423 Da
Monoisotopic Mass

4.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 377.14958 193.1
[M+Na]+ 399.13152 198.1
[M-H]- 375.13502 203.7
[M+NH4]+ 394.17612 203.9
[M+K]+ 415.10546 189.9
[M+H-H2O]+ 359.13956 188.4
[M+HCOO]- 421.14050 217.3
[M+CH3COO]- 435.15615 214.7
[M+Na-2H]- 397.11697 195.3
[M]+ 376.14175 193.7
[M]- 376.14285 193.7
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.