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 152.2
[M+Na]+ 258.12130 156.2
[M-H]- 234.12480 155.8
[M+NH4]+ 253.16590 168.7
[M+K]+ 274.09524 153.4
[M+H-H2O]+ 218.12934 144.2
[M+HCOO]- 280.13028 174.1
[M+CH3COO]- 294.14593 190.6
[M+Na-2H]- 256.10675 155.6
[M]+ 235.13153 147.5
[M]- 235.13263 147.5
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