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]+ 365.149576 188.8
[M+Na]+ 387.131518 193.9
[M-H]- 363.135024 199.5
[M+NH4]+ 382.176123 200.1
[M+K]+ 403.105458 186.6
[M+H-H2O]+ 347.139560 184.3
[M+HCOO]- 409.140501 213.3
[M+CH3COO]- 423.156151 213.3
[M+Na-2H]- 385.116966 191.6
[M]+ 364.14175142 189.9
[M]- 364.14284858 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.