CID 24212765

853329-36-9

Structural Information

Molecular Formula
C19H14Cl2N2O4
SMILES
C1=CC(=CC(=C1)[N+](=O)[O-])C2=CC=C(O2)CCC(=O)NC3=C(C=CC=C3Cl)Cl
InChI
InChI=1S/C19H14Cl2N2O4/c20-15-5-2-6-16(21)19(15)22-18(24)10-8-14-7-9-17(27-14)12-3-1-4-13(11-12)23(25)26/h1-7,9,11H,8,10H2,(H,22,24)
InChIKey
DVGGLQHZRINJJC-UHFFFAOYSA-N
Compound name
N-(2,6-dichlorophenyl)-3-[5-(3-nitrophenyl)furan-2-yl]propanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

404.03305 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 405.04033 197.4
[M+Na]+ 427.02227 203.9
[M-H]- 403.02577 206.8
[M+NH4]+ 422.06687 208.3
[M+K]+ 442.99621 194.6
[M+H-H2O]+ 387.03031 194.4
[M+HCOO]- 449.03125 212.6
[M+CH3COO]- 463.04690 215.0
[M+Na-2H]- 425.00772 199.2
[M]+ 404.03250 201.7
[M]- 404.03360 201.7
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.