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]+ 278.18630 168.4
[M+Na]+ 300.16824 171.3
[M-H]- 276.17174 172.9
[M+NH4]+ 295.21284 184.1
[M+K]+ 316.14218 171.4
[M+H-H2O]+ 260.17628 161.1
[M+HCOO]- 322.17722 190.9
[M+CH3COO]- 336.19287 209.8
[M+Na-2H]- 298.15369 170.7
[M]+ 277.17847 168.1
[M]- 277.17957 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.