CID 3004644

102433-19-2

Structural Information

Molecular Formula
C18H24N2O2S
SMILES
CCOC(CN(C)C(=S)NC1=CC=CC2=CC=CC=C21)OCC
InChI
InChI=1S/C18H24N2O2S/c1-4-21-17(22-5-2)13-20(3)18(23)19-16-12-8-10-14-9-6-7-11-15(14)16/h6-12,17H,4-5,13H2,1-3H3,(H,19,23)
InChIKey
IXOQSAYPBNELSM-UHFFFAOYSA-N
Compound name
1-(2,2-diethoxyethyl)-1-methyl-3-naphthalen-1-ylthiourea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

332.15585 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 333.163126 179.1
[M+Na]+ 355.145068 182.9
[M-H]- 331.148574 183.8
[M+NH4]+ 350.189673 194.3
[M+K]+ 371.119008 180.0
[M+H-H2O]+ 315.153110 170.9
[M+HCOO]- 377.154051 196.2
[M+CH3COO]- 391.169701 217.3
[M+Na-2H]- 353.130516 180.6
[M]+ 332.15530142 184.1
[M]- 332.15639858 184.1
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.