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]+ 297.13976 167.0
[M+Na]+ 319.12170 173.4
[M-H]- 295.12520 173.2
[M+NH4]+ 314.16630 184.3
[M+K]+ 335.09564 167.9
[M+H-H2O]+ 279.12974 158.2
[M+HCOO]- 341.13068 191.1
[M+CH3COO]- 355.14633 207.1
[M+Na-2H]- 317.10715 171.2
[M]+ 296.13193 165.4
[M]- 296.13303 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

No literature data available for this compound.

Patent stripe

No patent data available for this compound.