CID 24208994

853329-55-2

Structural Information

Molecular Formula
C21H20N2O4
SMILES
CC1=C(C(=CC=C1)C)NC(=O)CCC2=CC=C(O2)C3=CC(=CC=C3)[N+](=O)[O-]
InChI
InChI=1S/C21H20N2O4/c1-14-5-3-6-15(2)21(14)22-20(24)12-10-18-9-11-19(27-18)16-7-4-8-17(13-16)23(25)26/h3-9,11,13H,10,12H2,1-2H3,(H,22,24)
InChIKey
FKCZEACLYWNNGW-UHFFFAOYSA-N
Compound name
N-(2,6-dimethylphenyl)-3-[5-(3-nitrophenyl)furan-2-yl]propanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

364.1423 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 365.14958 188.8
[M+Na]+ 387.13152 193.9
[M-H]- 363.13502 199.5
[M+NH4]+ 382.17612 200.1
[M+K]+ 403.10546 186.6
[M+H-H2O]+ 347.13956 184.3
[M+HCOO]- 409.14050 213.3
[M+CH3COO]- 423.15615 213.3
[M+Na-2H]- 385.11697 191.6
[M]+ 364.14175 189.9
[M]- 364.14285 189.9
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.