CID 4285246

1-cyclopropyl-3-(2,4-xylyl)urea

Structural Information

Molecular Formula
C12H16N2O
SMILES
CC1=CC(=C(C=C1)NC(=O)NC2CC2)C
InChI
InChI=1S/C12H16N2O/c1-8-3-6-11(9(2)7-8)14-12(15)13-10-4-5-10/h3,6-7,10H,4-5H2,1-2H3,(H2,13,14,15)
InChIKey
BDGIAHGKHDMJMI-UHFFFAOYSA-N
Compound name
1-cyclopropyl-3-(2,4-dimethylphenyl)urea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

204.12627 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 205.13355 145.8
[M+Na]+ 227.11549 158.2
[M+NH4]+ 222.16009 154.6
[M+K]+ 243.08943 153.5
[M-H]- 203.11899 156.8
[M+Na-2H]- 225.10094 155.4
[M]+ 204.12572 151.6
[M]- 204.12682 151.6
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

patents stripe