CID 209549

19985-25-2

Structural Information

Molecular Formula
C13H19N3O2
SMILES
CN1CCC(C1)NC(=O)NC2=CC=C(C=C2)OC
InChI
InChI=1S/C13H19N3O2/c1-16-8-7-11(9-16)15-13(17)14-10-3-5-12(18-2)6-4-10/h3-6,11H,7-9H2,1-2H3,(H2,14,15,17)
InChIKey
OUZCSKAIOQDHEW-UHFFFAOYSA-N
Compound name
1-(4-methoxyphenyl)-3-(1-methylpyrrolidin-3-yl)urea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

249.14772 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 250.15500 157.0
[M+Na]+ 272.13694 162.0
[M-H]- 248.14044 162.2
[M+NH4]+ 267.18154 174.0
[M+K]+ 288.11088 159.7
[M+H-H2O]+ 232.14498 148.8
[M+HCOO]- 294.14592 180.1
[M+CH3COO]- 308.16157 197.2
[M+Na-2H]- 270.12239 159.6
[M]+ 249.14717 154.9
[M]- 249.14827 154.9
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