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

2
Patents

204.12627 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 205.133546 142.2
[M+Na]+ 227.115488 150.6
[M-H]- 203.118994 150.1
[M+NH4]+ 222.160093 156.4
[M+K]+ 243.089428 147.0
[M+H-H2O]+ 187.123530 135.5
[M+HCOO]- 249.124471 167.8
[M+CH3COO]- 263.140121 194.4
[M+Na-2H]- 225.100936 147.6
[M]+ 204.12572142 143.8
[M]- 204.12681858 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