CID 853602

1-isopropyl-3-(4-isopropyl-phenyl)-urea

Structural Information

Molecular Formula
C13H20N2O
SMILES
CC(C)C1=CC=C(C=C1)NC(=O)NC(C)C
InChI
InChI=1S/C13H20N2O/c1-9(2)11-5-7-12(8-6-11)15-13(16)14-10(3)4/h5-10H,1-4H3,(H2,14,15,16)
InChIKey
OHKCVYRQKKMUMO-UHFFFAOYSA-N
Compound name
1-propan-2-yl-3-(4-propan-2-ylphenyl)urea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

220.15756 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 221.16484 154.1
[M+Na]+ 243.14678 158.7
[M-H]- 219.15028 157.5
[M+NH4]+ 238.19138 172.0
[M+K]+ 259.12072 157.2
[M+H-H2O]+ 203.15482 147.4
[M+HCOO]- 265.15576 176.8
[M+CH3COO]- 279.17141 196.8
[M+Na-2H]- 241.13223 156.2
[M]+ 220.15701 153.0
[M]- 220.15811 153.0
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