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]+ 297.19615 174.0
[M+Na]+ 319.17809 178.1
[M-H]- 295.18159 180.3
[M+NH4]+ 314.22269 188.6
[M+K]+ 335.15203 174.6
[M+H-H2O]+ 279.18613 165.7
[M+HCOO]- 341.18707 196.1
[M+CH3COO]- 355.20272 211.7
[M+Na-2H]- 317.16354 175.0
[M]+ 296.18832 172.9
[M]- 296.18942 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