CID 11980063

1-(m-fluorophenyl)-3-(1-methyl-2-pyrrolidinylidene)urea hydrate

Structural Information

Molecular Formula
C12H14FN3O
SMILES
CN\1CCC/C1=N\C(=O)NC2=CC(=CC=C2)F
InChI
InChI=1S/C12H14FN3O/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
NZXIWVYOGLYGKD-RVDMUPIBSA-N
Compound name
(3E)-1-(3-fluorophenyl)-3-(1-methylpyrrolidin-2-ylidene)urea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

235.11209 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 236.11937 151.4
[M+Na]+ 258.10131 157.8
[M-H]- 234.10481 156.8
[M+NH4]+ 253.14591 169.6
[M+K]+ 274.07525 155.0
[M+H-H2O]+ 218.10935 142.3
[M+HCOO]- 280.11029 175.2
[M+CH3COO]- 294.12594 195.7
[M+Na-2H]- 256.08676 154.2
[M]+ 235.11154 147.5
[M]- 235.11264 147.5
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.