CID 209745

Urea, 1-(3-indenyl)-3-isopropyl-

Structural Information

Molecular Formula
C13H16N2O
SMILES
CC(C)NC(=O)NC1=CCC2=CC=CC=C21
InChI
InChI=1S/C13H16N2O/c1-9(2)14-13(16)15-12-8-7-10-5-3-4-6-11(10)12/h3-6,8-9H,7H2,1-2H3,(H2,14,15,16)
InChIKey
RBTLMSBEVAHLOB-UHFFFAOYSA-N
Compound name
1-(3H-inden-1-yl)-3-propan-2-ylurea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

216.12627 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 217.13355 149.5
[M+Na]+ 239.11549 155.4
[M-H]- 215.11899 154.0
[M+NH4]+ 234.16009 170.3
[M+K]+ 255.08943 152.8
[M+H-H2O]+ 199.12353 143.1
[M+HCOO]- 261.12447 173.8
[M+CH3COO]- 275.14012 193.2
[M+Na-2H]- 237.10094 153.9
[M]+ 216.12572 148.5
[M]- 216.12682 148.5
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.