CID 205685

18471-31-3

Structural Information

Molecular Formula
C12H17N3O2
SMILES
COC1=CC=C(C=C1)NC(=O)NC2CCNC2
InChI
InChI=1S/C12H17N3O2/c1-17-11-4-2-9(3-5-11)14-12(16)15-10-6-7-13-8-10/h2-5,10,13H,6-8H2,1H3,(H2,14,15,16)
InChIKey
KPMBDRZBNPOKDN-UHFFFAOYSA-N
Compound name
1-(4-methoxyphenyl)-3-pyrrolidin-3-ylurea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

235.13208 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 236.13936 154.6
[M+Na]+ 258.12130 162.7
[M+NH4]+ 253.16590 161.3
[M+K]+ 274.09524 159.5
[M-H]- 234.12480 157.0
[M+Na-2H]- 256.10675 159.7
[M]+ 235.13153 155.8
[M]- 235.13263 155.8
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.