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]+ 371.07930 188.7
[M+Na]+ 393.06124 194.3
[M-H]- 369.06474 198.9
[M+NH4]+ 388.10584 200.3
[M+K]+ 409.03518 185.8
[M+H-H2O]+ 353.06928 185.0
[M+HCOO]- 415.07022 209.2
[M+CH3COO]- 429.08587 209.7
[M+Na-2H]- 391.04669 192.3
[M]+ 370.07147 191.1
[M]- 370.07257 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.