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]+ 305.131816 170.2
[M+Na]+ 327.113758 174.8
[M-H]- 303.117264 175.2
[M+NH4]+ 322.158363 186.5
[M+K]+ 343.087698 172.5
[M+H-H2O]+ 287.121800 162.4
[M+HCOO]- 349.122741 187.9
[M+CH3COO]- 363.138391 211.4
[M+Na-2H]- 325.099206 172.7
[M]+ 304.12399142 174.5
[M]- 304.12508858 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.