CID 3050441

Sydnone imine, n-(((4-ethoxyphenyl)amino)carbonyl)-3-(1-methyl-2-phenylethyl)-

Structural Information

Molecular Formula
C20H23N4O3
SMILES
CCOC1=CC=C(C=C1)NC(=O)NC2=C[N+](=NO2)C(C)CC3=CC=CC=C3
InChI
InChI=1S/C20H22N4O3/c1-3-26-18-11-9-17(10-12-18)21-20(25)22-19-14-24(23-27-19)15(2)13-16-7-5-4-6-8-16/h4-12,14-15H,3,13H2,1-2H3,(H-,21,22,23,25)/p+1
InChIKey
XGIYXAIHTKGWRH-UHFFFAOYSA-O
Compound name
1-(4-ethoxyphenyl)-3-[3-(1-phenylpropan-2-yl)oxadiazol-3-ium-5-yl]urea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

367.177 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 368.18428 189.7
[M+Na]+ 390.16622 193.8
[M-H]- 366.16972 197.7
[M+NH4]+ 385.21082 198.0
[M+K]+ 406.14016 185.4
[M+H-H2O]+ 350.17426 181.2
[M+HCOO]- 412.17520 210.9
[M+CH3COO]- 426.19085 212.1
[M+Na-2H]- 388.15167 195.0
[M]+ 367.17645 190.7
[M]- 367.17755 190.7
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

patents stripe