CID 209747

Urea, 1-(3-indenyl)-3-(p-methoxybenzyl)-

Structural Information

Molecular Formula
C18H18N2O2
SMILES
COC1=CC=C(C=C1)CNC(=O)NC2=CCC3=CC=CC=C32
InChI
InChI=1S/C18H18N2O2/c1-22-15-9-6-13(7-10-15)12-19-18(21)20-17-11-8-14-4-2-3-5-16(14)17/h2-7,9-11H,8,12H2,1H3,(H2,19,20,21)
InChIKey
LFHNZMSMPKPAPX-UHFFFAOYSA-N
Compound name
1-(3H-inden-1-yl)-3-[(4-methoxyphenyl)methyl]urea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

294.13684 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 295.14412 167.2
[M+Na]+ 317.12606 173.4
[M-H]- 293.12956 174.9
[M+NH4]+ 312.17066 184.6
[M+K]+ 333.10000 169.1
[M+H-H2O]+ 277.13410 159.3
[M+HCOO]- 339.13504 192.6
[M+CH3COO]- 353.15069 206.5
[M+Na-2H]- 315.11151 172.1
[M]+ 294.13629 168.0
[M]- 294.13739 168.0
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.