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]+ 218.128776 148.8
[M+Na]+ 240.110718 154.2
[M-H]- 216.114224 155.2
[M+NH4]+ 235.155323 167.5
[M+K]+ 256.084658 151.9
[M+H-H2O]+ 200.118760 140.4
[M+HCOO]- 262.119701 173.7
[M+CH3COO]- 276.135351 191.9
[M+Na-2H]- 238.096166 152.8
[M]+ 217.12095142 145.6
[M]- 217.12204858 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.