CID 62659670

1-(4-fluorophenyl)-3-[2-(methylamino)ethyl]urea dihydrochloride

Structural Information

Molecular Formula
C10H14FN3O
SMILES
CNCCNC(=O)NC1=CC=C(C=C1)F
InChI
InChI=1S/C10H14FN3O/c1-12-6-7-13-10(15)14-9-4-2-8(11)3-5-9/h2-5,12H,6-7H2,1H3,(H2,13,14,15)
InChIKey
QTPPTIMXBATNMY-UHFFFAOYSA-N
Compound name
1-(4-fluorophenyl)-3-[2-(methylamino)ethyl]urea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

211.11209 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 212.11937 145.0
[M+Na]+ 234.10131 150.5
[M-H]- 210.10481 147.2
[M+NH4]+ 229.14591 162.9
[M+K]+ 250.07525 148.2
[M+H-H2O]+ 194.10935 137.0
[M+HCOO]- 256.11029 170.6
[M+CH3COO]- 270.12594 193.8
[M+Na-2H]- 232.08676 151.0
[M]+ 211.11154 142.1
[M]- 211.11264 142.1
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.