CID 3697795

3-[5-(diethylamino)pentan-2-yl]-1-(naphthalen-1-yl)urea

Structural Information

Molecular Formula
C20H29N3O
SMILES
CCN(CC)CCCC(C)NC(=O)NC1=CC=CC2=CC=CC=C21
InChI
InChI=1S/C20H29N3O/c1-4-23(5-2)15-9-10-16(3)21-20(24)22-19-14-8-12-17-11-6-7-13-18(17)19/h6-8,11-14,16H,4-5,9-10,15H2,1-3H3,(H2,21,22,24)
InChIKey
RIYZFSVCQTXEPM-UHFFFAOYSA-N
Compound name
1-[5-(diethylamino)pentan-2-yl]-3-naphthalen-1-ylurea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

327.23105 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 328.23833 183.3
[M+Na]+ 350.22027 192.6
[M+NH4]+ 345.26487 190.6
[M+K]+ 366.19421 185.2
[M-H]- 326.22377 187.4
[M+Na-2H]- 348.20572 188.4
[M]+ 327.23050 185.5
[M]- 327.23160 185.5
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

No patent data available for this compound.