CID 24212769

853330-13-9

Structural Information

Molecular Formula
C20H17ClN2O4
SMILES
CC1=C(C=CC=C1Cl)NC(=O)CCC2=CC=C(O2)C3=CC(=CC=C3)[N+](=O)[O-]
InChI
InChI=1S/C20H17ClN2O4/c1-13-17(21)6-3-7-18(13)22-20(24)11-9-16-8-10-19(27-16)14-4-2-5-15(12-14)23(25)26/h2-8,10,12H,9,11H2,1H3,(H,22,24)
InChIKey
SOBBONLEVIIJIP-UHFFFAOYSA-N
Compound name
N-(3-chloro-2-methylphenyl)-3-[5-(3-nitrophenyl)furan-2-yl]propanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

384.08768 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 385.094956 193.8
[M+Na]+ 407.076898 199.7
[M-H]- 383.080404 204.1
[M+NH4]+ 402.121503 205.0
[M+K]+ 423.050838 191.1
[M+H-H2O]+ 367.084940 190.0
[M+HCOO]- 429.085881 213.8
[M+CH3COO]- 443.101531 213.9
[M+Na-2H]- 405.062346 196.1
[M]+ 384.08713142 196.9
[M]- 384.08822858 196.9
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.