CID 9554215

50528-63-7

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 150.6
[M+Na]+ 240.11072 160.5
[M+NH4]+ 235.15532 158.4
[M+K]+ 256.08466 156.0
[M-H]- 216.11422 154.4
[M+Na-2H]- 238.09617 157.4
[M]+ 217.12095 152.7
[M]- 217.12205 152.7
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.