CID 9554216

Mcn-3009

Structural Information

Molecular Formula
C12H14ClN3O
SMILES
CN\1CCC/C1=N\C(=O)NC2=CC(=CC=C2)Cl
InChI
InChI=1S/C12H14ClN3O/c1-16-7-3-6-11(16)15-12(17)14-10-5-2-4-9(13)8-10/h2,4-5,8H,3,6-7H2,1H3,(H,14,17)/b15-11+
InChIKey
SINSISHOQIDCEP-RVDMUPIBSA-N
Compound name
(3E)-1-(3-chlorophenyl)-3-(1-methylpyrrolidin-2-ylidene)urea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

251.08253 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 252.08981 155.9
[M+Na]+ 274.07175 167.0
[M+NH4]+ 269.11635 163.9
[M+K]+ 290.04569 161.8
[M-H]- 250.07525 159.7
[M+Na-2H]- 272.05720 162.5
[M]+ 251.08198 158.5
[M]- 251.08308 158.5
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.