CID 24208991

853329-41-6

Structural Information

Molecular Formula
C20H18N2O4
SMILES
CC1=CC(=CC=C1)NC(=O)CCC2=CC=C(O2)C3=CC(=CC=C3)[N+](=O)[O-]
InChI
InChI=1S/C20H18N2O4/c1-14-4-2-6-16(12-14)21-20(23)11-9-18-8-10-19(26-18)15-5-3-7-17(13-15)22(24)25/h2-8,10,12-13H,9,11H2,1H3,(H,21,23)
InChIKey
UTIGQHZABHSJDS-UHFFFAOYSA-N
Compound name
N-(3-methylphenyl)-3-[5-(3-nitrophenyl)furan-2-yl]propanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

350.12665 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 351.133926 183.9
[M+Na]+ 373.115868 188.5
[M-H]- 349.119374 194.4
[M+NH4]+ 368.160473 195.4
[M+K]+ 389.089808 181.3
[M+H-H2O]+ 333.123910 179.3
[M+HCOO]- 395.124851 208.7
[M+CH3COO]- 409.140501 209.1
[M+Na-2H]- 371.101316 187.8
[M]+ 350.12610142 184.2
[M]- 350.12719858 184.2
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.