CID 4078438

1-cyclopropyl-3-(2-ethylphenyl)urea

Structural Information

Molecular Formula
C12H16N2O
SMILES
CCC1=CC=CC=C1NC(=O)NC2CC2
InChI
InChI=1S/C12H16N2O/c1-2-9-5-3-4-6-11(9)14-12(15)13-10-7-8-10/h3-6,10H,2,7-8H2,1H3,(H2,13,14,15)
InChIKey
UONZTMYMSIMVMF-UHFFFAOYSA-N
Compound name
1-cyclopropyl-3-(2-ethylphenyl)urea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

204.12627 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 205.133546 142.1
[M+Na]+ 227.115488 149.6
[M-H]- 203.118994 149.6
[M+NH4]+ 222.160093 156.0
[M+K]+ 243.089428 146.1
[M+H-H2O]+ 187.123530 135.1
[M+HCOO]- 249.124471 167.8
[M+CH3COO]- 263.140121 193.3
[M+Na-2H]- 225.100936 148.3
[M]+ 204.12572142 143.3
[M]- 204.12681858 143.3
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