CID 6190401

853351-49-2

Structural Information

Molecular Formula
C20H16N2O4
SMILES
CC1=CC=CC=C1NC(=O)/C=C/C2=CC=C(O2)C3=CC(=CC=C3)[N+](=O)[O-]
InChI
InChI=1S/C20H16N2O4/c1-14-5-2-3-8-18(14)21-20(23)12-10-17-9-11-19(26-17)15-6-4-7-16(13-15)22(24)25/h2-13H,1H3,(H,21,23)/b12-10+
InChIKey
NTWVAEJOKCPMIF-ZRDIBKRKSA-N
Compound name
(E)-N-(2-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

348.111 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 349.118276 183.4
[M+Na]+ 371.100218 188.5
[M-H]- 347.103724 194.0
[M+NH4]+ 366.144823 195.0
[M+K]+ 387.074158 180.6
[M+H-H2O]+ 331.108260 178.9
[M+HCOO]- 393.109201 208.4
[M+CH3COO]- 407.124851 207.6
[M+Na-2H]- 369.085666 187.3
[M]+ 348.11045142 182.9
[M]- 348.11154858 182.9
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.