CID 24212768

853330-07-1

Structural Information

Molecular Formula
C19H15ClN2O4
SMILES
C1=CC(=CC(=C1)[N+](=O)[O-])C2=CC=C(O2)CCC(=O)NC3=CC(=CC=C3)Cl
InChI
InChI=1S/C19H15ClN2O4/c20-14-4-2-5-15(12-14)21-19(23)10-8-17-7-9-18(26-17)13-3-1-6-16(11-13)22(24)25/h1-7,9,11-12H,8,10H2,(H,21,23)
InChIKey
WHRPEEFMSUMNFP-UHFFFAOYSA-N
Compound name
N-(3-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 185.0
[M+Na]+ 393.06124 199.9
[M+NH4]+ 388.10584 192.5
[M+K]+ 409.03518 196.4
[M-H]- 369.06474 193.5
[M+Na-2H]- 391.04669 193.4
[M]+ 370.07147 189.8
[M]- 370.07257 189.8
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.