CID 3025428

Urea, 1-(1-naphthyl)-3-(2,2-diethoxyethyl)-

Structural Information

Molecular Formula
C17H22N2O3
SMILES
CCOC(CNC(=O)NC1=CC=CC2=CC=CC=C21)OCC
InChI
InChI=1S/C17H22N2O3/c1-3-21-16(22-4-2)12-18-17(20)19-15-11-7-9-13-8-5-6-10-14(13)15/h5-11,16H,3-4,12H2,1-2H3,(H2,18,19,20)
InChIKey
IETDEZATHQJICJ-UHFFFAOYSA-N
Compound name
1-(2,2-diethoxyethyl)-3-naphthalen-1-ylurea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

302.16306 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 303.17034 171.0
[M+Na]+ 325.15228 175.0
[M-H]- 301.15578 174.6
[M+NH4]+ 320.19688 186.2
[M+K]+ 341.12622 172.7
[M+H-H2O]+ 285.16032 162.9
[M+HCOO]- 347.16126 193.6
[M+CH3COO]- 361.17691 209.6
[M+Na-2H]- 323.13773 175.9
[M]+ 302.16251 173.6
[M]- 302.16361 173.6
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.