CID 209564

3-methyl-1-(1-methylpyrrolidin-3-yl)-1-phenylurea

Structural Information

Molecular Formula
C13H19N3O
SMILES
CNC(=O)N(C1CCN(C1)C)C2=CC=CC=C2
InChI
InChI=1S/C13H19N3O/c1-14-13(17)16(11-6-4-3-5-7-11)12-8-9-15(2)10-12/h3-7,12H,8-10H2,1-2H3,(H,14,17)
InChIKey
VNYRHUUXBBPRLZ-UHFFFAOYSA-N
Compound name
3-methyl-1-(1-methylpyrrolidin-3-yl)-1-phenylurea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

233.15282 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 234.16010 155.5
[M+Na]+ 256.14204 164.7
[M+NH4]+ 251.18664 163.3
[M+K]+ 272.11598 161.0
[M-H]- 232.14554 159.3
[M+Na-2H]- 254.12749 161.8
[M]+ 233.15227 157.5
[M]- 233.15337 157.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

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No literature data available for this compound.

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No patent data available for this compound.