CID 24208990

853329-25-6

Structural Information

Molecular Formula
C22H22N2O4
SMILES
CCC1=CC=CC(=C1NC(=O)CCC2=CC=C(O2)C3=CC(=CC=C3)[N+](=O)[O-])C
InChI
InChI=1S/C22H22N2O4/c1-3-16-7-4-6-15(2)22(16)23-21(25)13-11-19-10-12-20(28-19)17-8-5-9-18(14-17)24(26)27/h4-10,12,14H,3,11,13H2,1-2H3,(H,23,25)
InChIKey
QGHYCDSDHJNMOE-UHFFFAOYSA-N
Compound name
N-(2-ethyl-6-methylphenyl)-3-[5-(3-nitrophenyl)furan-2-yl]propanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

378.15796 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 379.165236 193.6
[M+Na]+ 401.147178 198.3
[M-H]- 377.150684 204.1
[M+NH4]+ 396.191783 204.3
[M+K]+ 417.121118 190.7
[M+H-H2O]+ 361.155220 188.9
[M+HCOO]- 423.156161 217.7
[M+CH3COO]- 437.171811 216.2
[M+Na-2H]- 399.132626 195.8
[M]+ 378.15741142 195.0
[M]- 378.15850858 195.0
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.