CID 46737750

107484-83-3

Structural Information

Molecular Formula
C15H23N3O2
SMILES
CC(C)N(C(=O)NC1=CC=CC=C1)C(=O)NC(C)(C)C
InChI
InChI=1S/C15H23N3O2/c1-11(2)18(14(20)17-15(3,4)5)13(19)16-12-9-7-6-8-10-12/h6-11H,1-5H3,(H,16,19)(H,17,20)
InChIKey
FQHIZMIZGHBDPA-UHFFFAOYSA-N
Compound name
1-(tert-butylcarbamoyl)-3-phenyl-1-propan-2-ylurea
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

0
References

0
Patents

277.17902 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 278.186296 168.4
[M+Na]+ 300.168238 171.3
[M-H]- 276.171744 172.9
[M+NH4]+ 295.212843 184.1
[M+K]+ 316.142178 171.4
[M+H-H2O]+ 260.176280 161.1
[M+HCOO]- 322.177221 190.9
[M+CH3COO]- 336.192871 209.8
[M+Na-2H]- 298.153686 170.7
[M]+ 277.17847142 168.1
[M]- 277.17956858 168.1
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

No patent data available for this compound.