CID 4997933

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

Structural Information

Molecular Formula
C17H17F3N2O
SMILES
CC(C)C1=CC=C(C=C1)NC(=O)NC2=CC=CC(=C2)C(F)(F)F
InChI
InChI=1S/C17H17F3N2O/c1-11(2)12-6-8-14(9-7-12)21-16(23)22-15-5-3-4-13(10-15)17(18,19)20/h3-11H,1-2H3,(H2,21,22,23)
InChIKey
FEUGVECEIXCIPA-UHFFFAOYSA-N
Compound name
1-(4-propan-2-ylphenyl)-3-[3-(trifluoromethyl)phenyl]urea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

322.1293 Da
Monoisotopic Mass

5.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 323.13658 173.1
[M+Na]+ 345.11852 179.1
[M-H]- 321.12202 175.8
[M+NH4]+ 340.16312 186.6
[M+K]+ 361.09246 174.6
[M+H-H2O]+ 305.12656 162.6
[M+HCOO]- 367.12750 192.1
[M+CH3COO]- 381.14315 212.7
[M+Na-2H]- 343.10397 175.3
[M]+ 322.12875 168.0
[M]- 322.12985 168.0
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

No patent data available for this compound.