CID 297297

1-(2-chloroethyl)-3-(3-methyl-4-indanyl)urea

Structural Information

Molecular Formula
C13H17ClN2O
SMILES
CC1CCC2=C1C(=CC=C2)NC(=O)NCCCl
InChI
InChI=1S/C13H17ClN2O/c1-9-5-6-10-3-2-4-11(12(9)10)16-13(17)15-8-7-14/h2-4,9H,5-8H2,1H3,(H2,15,16,17)
InChIKey
FATMBAKSRGVTJA-UHFFFAOYSA-N
Compound name
1-(2-chloroethyl)-3-(3-methyl-2,3-dihydro-1H-inden-4-yl)urea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

252.10294 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 253.11022 156.3
[M+Na]+ 275.09216 166.7
[M+NH4]+ 270.13676 165.1
[M+K]+ 291.06610 161.2
[M-H]- 251.09566 159.2
[M+Na-2H]- 273.07761 160.8
[M]+ 252.10239 158.6
[M]- 252.10349 158.6
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.