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 179.1
[M+Na]+ 355.14507 182.9
[M-H]- 331.14857 183.8
[M+NH4]+ 350.18967 194.3
[M+K]+ 371.11901 180.0
[M+H-H2O]+ 315.15311 170.9
[M+HCOO]- 377.15405 196.2
[M+CH3COO]- 391.16970 217.3
[M+Na-2H]- 353.13052 180.6
[M]+ 332.15530 184.1
[M]- 332.15640 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.