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
3
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]+ 278.18630 168.3
[M+Na]+ 300.16824 175.2
[M+NH4]+ 295.21284 173.9
[M+K]+ 316.14218 172.0
[M-H]- 276.17174 169.7
[M+Na-2H]- 298.15369 172.4
[M]+ 277.17847 169.2
[M]- 277.17957 169.2
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

No patent data available for this compound.