CID 303395

1-(1-naphthyl)-3-octadecylurea

Structural Information

Molecular Formula
C29H46N2O
SMILES
CCCCCCCCCCCCCCCCCCNC(=O)NC1=CC=CC2=CC=CC=C21
InChI
InChI=1S/C29H46N2O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-19-25-30-29(32)31-28-24-20-22-26-21-17-18-23-27(26)28/h17-18,20-24H,2-16,19,25H2,1H3,(H2,30,31,32)
InChIKey
PNMUAOMURCMEGO-UHFFFAOYSA-N
Compound name
1-naphthalen-1-yl-3-octadecylurea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

438.36102 Da
Monoisotopic Mass

10.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 439.36830 217.9
[M+Na]+ 461.35024 217.1
[M-H]- 437.35374 218.8
[M+NH4]+ 456.39484 227.5
[M+K]+ 477.32418 210.1
[M+H-H2O]+ 421.35828 207.6
[M+HCOO]- 483.35922 236.8
[M+CH3COO]- 497.37487 240.2
[M+Na-2H]- 459.33569 217.4
[M]+ 438.36047 222.3
[M]- 438.36157 222.3
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