CID 3051669

Sydnone imine, n-((3,4-dichlorophenyl)carbamoyl)-3-phenethyl-

Structural Information

Molecular Formula
C17H15Cl2N4O2
SMILES
C1=CC=C(C=C1)CC[N+]2=NOC(=C2)NC(=O)NC3=CC(=C(C=C3)Cl)Cl
InChI
InChI=1S/C17H14Cl2N4O2/c18-14-7-6-13(10-15(14)19)20-17(24)21-16-11-23(22-25-16)9-8-12-4-2-1-3-5-12/h1-7,10-11H,8-9H2,(H-,20,21,22,24)/p+1
InChIKey
DEVIBLJUXPTNNN-UHFFFAOYSA-O
Compound name
1-(3,4-dichlorophenyl)-3-[3-(2-phenylethyl)oxadiazol-3-ium-5-yl]urea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

7
Patents

377.05722 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 378.06450 188.2
[M+Na]+ 400.04644 195.7
[M-H]- 376.04994 195.2
[M+NH4]+ 395.09104 197.8
[M+K]+ 416.02038 184.5
[M+H-H2O]+ 360.05448 181.0
[M+HCOO]- 422.05542 201.0
[M+CH3COO]- 436.07107 209.3
[M+Na-2H]- 398.03189 193.3
[M]+ 377.05667 191.3
[M]- 377.05777 191.3
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