CID 182167

3-(4-isopropylphenyl)-1-methylurea

Structural Information

Molecular Formula
C11H16N2O
SMILES
CC(C)C1=CC=C(C=C1)NC(=O)NC
InChI
InChI=1S/C11H16N2O/c1-8(2)9-4-6-10(7-5-9)13-11(14)12-3/h4-8H,1-3H3,(H2,12,13,14)
InChIKey
DOULWWSSZVEPIN-UHFFFAOYSA-N
Compound name
1-methyl-3-(4-propan-2-ylphenyl)urea
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

10
References

1099
Patents

192.12627 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 193.133546 144.5
[M+Na]+ 215.115488 150.1
[M-H]- 191.118994 148.2
[M+NH4]+ 210.160093 163.6
[M+K]+ 231.089428 148.6
[M+H-H2O]+ 175.123530 138.0
[M+HCOO]- 237.124471 168.9
[M+CH3COO]- 251.140121 189.8
[M+Na-2H]- 213.100936 148.9
[M]+ 192.12572142 143.3
[M]- 192.12681858 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

literature stripe

Patent stripe

patents stripe