CID 9554223

Brn 0410155

Structural Information

Molecular Formula
C13H16ClN3O
SMILES
CC1CC/C(=N\C(=O)NC2=CC(=CC=C2)Cl)/N1C
InChI
InChI=1S/C13H16ClN3O/c1-9-6-7-12(17(9)2)16-13(18)15-11-5-3-4-10(14)8-11/h3-5,8-9H,6-7H2,1-2H3,(H,15,18)/b16-12+
InChIKey
FGRVKUUZWATAPG-FOWTUZBSSA-N
Compound name
(3E)-1-(3-chlorophenyl)-3-(1,5-dimethylpyrrolidin-2-ylidene)urea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

265.09818 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 266.10546 162.3
[M+Na]+ 288.08740 169.8
[M-H]- 264.09090 168.9
[M+NH4]+ 283.13200 180.5
[M+K]+ 304.06134 165.3
[M+H-H2O]+ 248.09544 154.8
[M+HCOO]- 310.09638 182.1
[M+CH3COO]- 324.11203 201.0
[M+Na-2H]- 286.07285 163.6
[M]+ 265.09763 162.2
[M]- 265.09873 162.2
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

No patent data available for this compound.