CID 4340248

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

Structural Information

Molecular Formula
C19H24N2O
SMILES
CC(C)C1=CC=C(C=C1)NC(=O)NC2=CC=C(C=C2)C(C)C
InChI
InChI=1S/C19H24N2O/c1-13(2)15-5-9-17(10-6-15)20-19(22)21-18-11-7-16(8-12-18)14(3)4/h5-14H,1-4H3,(H2,20,21,22)
InChIKey
LCLLZMJXQLZVHB-UHFFFAOYSA-N
Compound name
1,3-bis(4-propan-2-ylphenyl)urea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

296.18887 Da
Monoisotopic Mass

5.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 297.196146 174.0
[M+Na]+ 319.178088 178.1
[M-H]- 295.181594 180.3
[M+NH4]+ 314.222693 188.6
[M+K]+ 335.152028 174.6
[M+H-H2O]+ 279.186130 165.7
[M+HCOO]- 341.187071 196.1
[M+CH3COO]- 355.202721 211.7
[M+Na-2H]- 317.163536 175.0
[M]+ 296.18832142 172.9
[M]- 296.18941858 172.9
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