CID 209748

1-(p-fluorophenethyl)-3-(3-indenyl)urea

Structural Information

Molecular Formula
C18H17FN2O
SMILES
C1C=C(C2=CC=CC=C21)NC(=O)NCCC3=CC=C(C=C3)F
InChI
InChI=1S/C18H17FN2O/c19-15-8-5-13(6-9-15)11-12-20-18(22)21-17-10-7-14-3-1-2-4-16(14)17/h1-6,8-10H,7,11-12H2,(H2,20,21,22)
InChIKey
NYWILMBJBNCMBI-UHFFFAOYSA-N
Compound name
1-[2-(4-fluorophenyl)ethyl]-3-(3H-inden-1-yl)urea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

296.13248 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 297.139756 167.0
[M+Na]+ 319.121698 173.4
[M-H]- 295.125204 173.2
[M+NH4]+ 314.166303 184.3
[M+K]+ 335.095638 167.9
[M+H-H2O]+ 279.129740 158.2
[M+HCOO]- 341.130681 191.1
[M+CH3COO]- 355.146331 207.1
[M+Na-2H]- 317.107146 171.2
[M]+ 296.13193142 165.4
[M]- 296.13302858 165.4
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.