CID 43604182

1-(4-fluorophenyl)-3-(pyrrolidin-3-yl)urea

Structural Information

Molecular Formula
C11H14FN3O
SMILES
C1CNCC1NC(=O)NC2=CC=C(C=C2)F
InChI
InChI=1S/C11H14FN3O/c12-8-1-3-9(4-2-8)14-11(16)15-10-5-6-13-7-10/h1-4,10,13H,5-7H2,(H2,14,15,16)
InChIKey
OVNHILGOFGACGM-UHFFFAOYSA-N
Compound name
1-(4-fluorophenyl)-3-pyrrolidin-3-ylurea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

223.11209 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 224.11937 147.4
[M+Na]+ 246.10131 152.0
[M-H]- 222.10481 149.7
[M+NH4]+ 241.14591 164.3
[M+K]+ 262.07525 148.3
[M+H-H2O]+ 206.10935 138.7
[M+HCOO]- 268.11029 168.3
[M+CH3COO]- 282.12594 188.1
[M+Na-2H]- 244.08676 150.6
[M]+ 223.11154 139.8
[M]- 223.11264 139.8
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.