CID 1712631

313554-88-0

Structural Information

Molecular Formula
C21H15N3O4
SMILES
CC1=CC=C(C=C1)NC(=O)/C(=C\C2=CC=C(O2)C3=CC(=CC=C3)[N+](=O)[O-])/C#N
InChI
InChI=1S/C21H15N3O4/c1-14-5-7-17(8-6-14)23-21(25)16(13-22)12-19-9-10-20(28-19)15-3-2-4-18(11-15)24(26)27/h2-12H,1H3,(H,23,25)/b16-12-
InChIKey
XVGATKUASRJDKA-VBKFSLOCSA-N
Compound name
(Z)-2-cyano-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

373.10626 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 374.11354 201.8
[M+Na]+ 396.09548 208.5
[M-H]- 372.09898 209.2
[M+NH4]+ 391.14008 210.5
[M+K]+ 412.06942 198.9
[M+H-H2O]+ 356.10352 189.7
[M+HCOO]- 418.10446 220.9
[M+CH3COO]- 432.12011 221.4
[M+Na-2H]- 394.08093 202.1
[M]+ 373.10571 195.1
[M]- 373.10681 195.1
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.