CID 45051374

853351-53-8

Structural Information

Molecular Formula
C21H18N2O5
SMILES
COC1=CC=C(C=C1)CNC(=O)/C=C/C2=CC=C(O2)C3=CC(=CC=C3)[N+](=O)[O-]
InChI
InChI=1S/C21H18N2O5/c1-27-18-7-5-15(6-8-18)14-22-21(24)12-10-19-9-11-20(28-19)16-3-2-4-17(13-16)23(25)26/h2-13H,14H2,1H3,(H,22,24)/b12-10+
InChIKey
VZSUWDUHEMYPKN-ZRDIBKRKSA-N
Compound name
(E)-N-[(4-methoxyphenyl)methyl]-3-[5-(3-nitrophenyl)furan-2-yl]prop-2-enamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

378.12158 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 379.12886 191.0
[M+Na]+ 401.11080 195.3
[M-H]- 377.11430 201.4
[M+NH4]+ 396.15540 201.2
[M+K]+ 417.08474 187.9
[M+H-H2O]+ 361.11884 186.0
[M+HCOO]- 423.11978 215.8
[M+CH3COO]- 437.13543 212.7
[M+Na-2H]- 399.09625 194.6
[M]+ 378.12103 192.1
[M]- 378.12213 192.1
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.