CID 218529

Urea, n-1-naphthalenyl-n'-(1-propylbutyl)-

Structural Information

Molecular Formula
C18H24N2O
SMILES
CCCC(CCC)NC(=O)NC1=CC=CC2=CC=CC=C21
InChI
InChI=1S/C18H24N2O/c1-3-8-15(9-4-2)19-18(21)20-17-13-7-11-14-10-5-6-12-16(14)17/h5-7,10-13,15H,3-4,8-9H2,1-2H3,(H2,19,20,21)
InChIKey
CMXACVYTDQYAMT-UHFFFAOYSA-N
Compound name
1-heptan-4-yl-3-naphthalen-1-ylurea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

284.18887 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 285.196146 170.0
[M+Na]+ 307.178088 173.8
[M-H]- 283.181594 173.4
[M+NH4]+ 302.222693 186.1
[M+K]+ 323.152028 169.9
[M+H-H2O]+ 267.186130 162.2
[M+HCOO]- 329.187071 191.8
[M+CH3COO]- 343.202721 208.4
[M+Na-2H]- 305.163536 174.1
[M]+ 284.18832142 170.0
[M]- 284.18941858 170.0
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

No patent data available for this compound.