CID 9554215

Urea, 1-(1-methyl-2-pyrrolidinylidene)-3-phenyl-

Structural Information

Molecular Formula
C12H15N3O
SMILES
CN\1CCC/C1=N\C(=O)NC2=CC=CC=C2
InChI
InChI=1S/C12H15N3O/c1-15-9-5-8-11(15)14-12(16)13-10-6-3-2-4-7-10/h2-4,6-7H,5,8-9H2,1H3,(H,13,16)/b14-11+
InChIKey
KJMVNLKAOWEYRF-SDNWHVSQSA-N
Compound name
(1E)-1-(1-methylpyrrolidin-2-ylidene)-3-phenylurea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

217.1215 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 218.12878 148.8
[M+Na]+ 240.11072 154.2
[M-H]- 216.11422 155.2
[M+NH4]+ 235.15532 167.5
[M+K]+ 256.08466 151.9
[M+H-H2O]+ 200.11876 140.4
[M+HCOO]- 262.11970 173.7
[M+CH3COO]- 276.13535 191.9
[M+Na-2H]- 238.09617 152.8
[M]+ 217.12095 145.6
[M]- 217.12205 145.6
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.