CID 3025429

Urea, 1-(1-naphthyl)-3-neopentyl-

Structural Information

Molecular Formula
C16H20N2O
SMILES
CC(C)(C)CNC(=O)NC1=CC=CC2=CC=CC=C21
InChI
InChI=1S/C16H20N2O/c1-16(2,3)11-17-15(19)18-14-10-6-8-12-7-4-5-9-13(12)14/h4-10H,11H2,1-3H3,(H2,17,18,19)
InChIKey
NOVXUXAQJUJFBG-UHFFFAOYSA-N
Compound name
1-(2,2-dimethylpropyl)-3-naphthalen-1-ylurea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

256.15756 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 257.16484 160.7
[M+Na]+ 279.14678 166.4
[M-H]- 255.15028 164.9
[M+NH4]+ 274.19138 178.3
[M+K]+ 295.12072 162.9
[M+H-H2O]+ 239.15482 154.0
[M+HCOO]- 301.15576 182.7
[M+CH3COO]- 315.17141 201.2
[M+Na-2H]- 277.13223 168.0
[M]+ 256.15701 160.2
[M]- 256.15811 160.2
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

patents stripe