CID 872591

853351-10-7

Structural Information

Molecular Formula
C20H16N2O4
SMILES
CC1=CC=C(C=C1)NC(=O)/C=C/C2=CC=C(O2)C3=CC(=CC=C3)[N+](=O)[O-]
InChI
InChI=1S/C20H16N2O4/c1-14-5-7-16(8-6-14)21-20(23)12-10-18-9-11-19(26-18)15-3-2-4-17(13-15)22(24)25/h2-13H,1H3,(H,21,23)/b12-10+
InChIKey
NXTUGIJDHKDTRZ-ZRDIBKRKSA-N
Compound name
(E)-N-(4-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]+ 349.11828 183.4
[M+Na]+ 371.10022 188.5
[M-H]- 347.10372 194.0
[M+NH4]+ 366.14482 195.0
[M+K]+ 387.07416 180.6
[M+H-H2O]+ 331.10826 178.9
[M+HCOO]- 393.10920 208.4
[M+CH3COO]- 407.12485 207.6
[M+Na-2H]- 369.08567 187.3
[M]+ 348.11045 182.9
[M]- 348.11155 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.