CID 4643194

1-cyclopropyl-3-(2,6-dimethylphenyl)urea

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

204.12627 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 205.13355 142.2
[M+Na]+ 227.11549 150.6
[M-H]- 203.11899 150.1
[M+NH4]+ 222.16009 156.4
[M+K]+ 243.08943 147.0
[M+H-H2O]+ 187.12353 135.5
[M+HCOO]- 249.12447 167.8
[M+CH3COO]- 263.14012 194.4
[M+Na-2H]- 225.10094 147.6
[M]+ 204.12572 143.8
[M]- 204.12682 143.8
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