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]+ 333.16313 177.9
[M+Na]+ 355.14507 187.7
[M+NH4]+ 350.18967 185.7
[M+K]+ 371.11901 179.1
[M-H]- 331.14857 181.4
[M+Na-2H]- 353.13052 183.2
[M]+ 332.15530 180.6
[M]- 332.15640 180.6
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.