CID 9554218

Brn 0410460

Structural Information

Molecular Formula
C13H17N3O2
SMILES
CN\1CCC/C1=N\C(=O)NC2=CC(=CC=C2)OC
InChI
InChI=1S/C13H17N3O2/c1-16-8-4-7-12(16)15-13(17)14-10-5-3-6-11(9-10)18-2/h3,5-6,9H,4,7-8H2,1-2H3,(H,14,17)/b15-12+
InChIKey
BVPKBYWSGUFDLG-NTCAYCPXSA-N
Compound name
(3E)-1-(3-methoxyphenyl)-3-(1-methylpyrrolidin-2-ylidene)urea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

247.13208 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 248.13936 157.8
[M+Na]+ 270.12130 167.4
[M+NH4]+ 265.16590 164.9
[M+K]+ 286.09524 163.4
[M-H]- 246.12480 161.1
[M+Na-2H]- 268.10675 163.6
[M]+ 247.13153 159.7
[M]- 247.13263 159.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.