CID 791730

1,1-diisopropyl-3-phenylurea

Structural Information

Molecular Formula
C13H20N2O
SMILES
CC(C)N(C(C)C)C(=O)NC1=CC=CC=C1
InChI
InChI=1S/C13H20N2O/c1-10(2)15(11(3)4)13(16)14-12-8-6-5-7-9-12/h5-11H,1-4H3,(H,14,16)
InChIKey
PWLKEIDJQXTQCX-UHFFFAOYSA-N
Compound name
3-phenyl-1,1-di(propan-2-yl)urea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

5
References

10
Patents

220.15756 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 221.16484 154.4
[M+Na]+ 243.14678 158.2
[M-H]- 219.15028 158.9
[M+NH4]+ 238.19138 172.6
[M+K]+ 259.12072 158.1
[M+H-H2O]+ 203.15482 147.3
[M+HCOO]- 265.15576 177.6
[M+CH3COO]- 279.17141 199.1
[M+Na-2H]- 241.13223 156.5
[M]+ 220.15701 154.2
[M]- 220.15811 154.2
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