CID 3025428

102613-46-7

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]+ 303.170336 171.0
[M+Na]+ 325.152278 175.0
[M-H]- 301.155784 174.6
[M+NH4]+ 320.196883 186.2
[M+K]+ 341.126218 172.7
[M+H-H2O]+ 285.160320 162.9
[M+HCOO]- 347.161261 193.6
[M+CH3COO]- 361.176911 209.6
[M+Na-2H]- 323.137726 175.9
[M]+ 302.16251142 173.6
[M]- 302.16360858 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.