CID 854306

Urea, 1-tert-butyl-3-(1-naphthyl)-

Structural Information

Molecular Formula
C15H18N2O
SMILES
CC(C)(C)NC(=O)NC1=CC=CC2=CC=CC=C21
InChI
InChI=1S/C15H18N2O/c1-15(2,3)17-14(18)16-13-10-6-8-11-7-4-5-9-12(11)13/h4-10H,1-3H3,(H2,16,17,18)
InChIKey
REHSGLABVNNHQU-UHFFFAOYSA-N
Compound name
1-tert-butyl-3-naphthalen-1-ylurea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

242.1419 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 243.149176 156.1
[M+Na]+ 265.131118 162.2
[M-H]- 241.134624 160.5
[M+NH4]+ 260.175723 174.3
[M+K]+ 281.105058 158.9
[M+H-H2O]+ 225.139160 149.5
[M+HCOO]- 287.140101 178.4
[M+CH3COO]- 301.155751 198.2
[M+Na-2H]- 263.116566 163.9
[M]+ 242.14135142 155.2
[M]- 242.14244858 155.2
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.