CID 3004648

102433-25-0

Structural Information

Molecular Formula
C16H20N2O2S
SMILES
CN(CC(OC)OC)C(=S)NC1=CC=CC2=CC=CC=C21
InChI
InChI=1S/C16H20N2O2S/c1-18(11-15(19-2)20-3)16(21)17-14-10-6-8-12-7-4-5-9-13(12)14/h4-10,15H,11H2,1-3H3,(H,17,21)
InChIKey
UKLHYNKIFNVGIE-UHFFFAOYSA-N
Compound name
1-(2,2-dimethoxyethyl)-1-methyl-3-naphthalen-1-ylthiourea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

304.12454 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 305.13182 170.2
[M+Na]+ 327.11376 174.8
[M-H]- 303.11726 175.2
[M+NH4]+ 322.15836 186.5
[M+K]+ 343.08770 172.5
[M+H-H2O]+ 287.12180 162.4
[M+HCOO]- 349.12274 187.9
[M+CH3COO]- 363.13839 211.4
[M+Na-2H]- 325.09921 172.7
[M]+ 304.12399 174.5
[M]- 304.12509 174.5
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.