CID 3051675

N-((p-chlorophenyl)carbamoyl)-3-(alpha-methylphenethyl)syndone imine

Structural Information

Molecular Formula
C18H18ClN4O2
SMILES
CC(CC1=CC=CC=C1)[N+]2=NOC(=C2)NC(=O)NC3=CC=C(C=C3)Cl
InChI
InChI=1S/C18H17ClN4O2/c1-13(11-14-5-3-2-4-6-14)23-12-17(25-22-23)21-18(24)20-16-9-7-15(19)8-10-16/h2-10,12-13H,11H2,1H3,(H-,20,21,22,24)/p+1
InChIKey
AVSUYSNXBVGYBD-UHFFFAOYSA-O
Compound name
1-(4-chlorophenyl)-3-[3-(1-phenylpropan-2-yl)oxadiazol-3-ium-5-yl]urea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

357.11182 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 358.11910 181.7
[M+Na]+ 380.10104 197.1
[M+NH4]+ 375.14564 189.4
[M+K]+ 396.07498 192.5
[M-H]- 356.10454 189.9
[M+Na-2H]- 378.08649 191.4
[M]+ 357.11127 186.7
[M]- 357.11237 186.7
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