CID 24212764

853329-30-3

Structural Information

Molecular Formula
C19H15ClN2O4
SMILES
C1=CC(=CC(=C1)[N+](=O)[O-])C2=CC=C(O2)CCC(=O)NC3=CC=C(C=C3)Cl
InChI
InChI=1S/C19H15ClN2O4/c20-14-4-6-15(7-5-14)21-19(23)11-9-17-8-10-18(26-17)13-2-1-3-16(12-13)22(24)25/h1-8,10,12H,9,11H2,(H,21,23)
InChIKey
WOLYWQKZNSMYSS-UHFFFAOYSA-N
Compound name
N-(4-chlorophenyl)-3-[5-(3-nitrophenyl)furan-2-yl]propanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

370.07202 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 371.079296 188.7
[M+Na]+ 393.061238 194.3
[M-H]- 369.064744 198.9
[M+NH4]+ 388.105843 200.3
[M+K]+ 409.035178 185.8
[M+H-H2O]+ 353.069280 185.0
[M+HCOO]- 415.070221 209.2
[M+CH3COO]- 429.085871 209.7
[M+Na-2H]- 391.046686 192.3
[M]+ 370.07147142 191.1
[M]- 370.07256858 191.1
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.