CID 306517

1-butyl-3-(naphthalen-1-yl)urea

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

12
Patents

242.1419 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 243.14918 156.8
[M+Na]+ 265.13112 168.6
[M+NH4]+ 260.17572 165.4
[M+K]+ 281.10506 160.7
[M-H]- 241.13462 160.8
[M+Na-2H]- 263.11657 163.8
[M]+ 242.14135 159.5
[M]- 242.14245 159.5
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