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]+ 379.16524 193.6
[M+Na]+ 401.14718 198.3
[M-H]- 377.15068 204.1
[M+NH4]+ 396.19178 204.3
[M+K]+ 417.12112 190.7
[M+H-H2O]+ 361.15522 188.9
[M+HCOO]- 423.15616 217.7
[M+CH3COO]- 437.17181 216.2
[M+Na-2H]- 399.13263 195.8
[M]+ 378.15741 195.0
[M]- 378.15851 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.