CID 3038188

32412-03-6

Structural Information

Molecular Formula
C14H22N2OS
SMILES
CC(C)OC1=CC=C(C=C1)C(=S)NCCN(C)C
InChI
InChI=1S/C14H22N2OS/c1-11(2)17-13-7-5-12(6-8-13)14(18)15-9-10-16(3)4/h5-8,11H,9-10H2,1-4H3,(H,15,18)
InChIKey
SJOWXANUFZIHGY-UHFFFAOYSA-N
Compound name
N-[2-(dimethylamino)ethyl]-4-propan-2-yloxybenzenecarbothioamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

266.1453 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 267.15258 164.0
[M+Na]+ 289.13452 168.3
[M-H]- 265.13802 168.4
[M+NH4]+ 284.17912 181.1
[M+K]+ 305.10846 166.2
[M+H-H2O]+ 249.14256 156.4
[M+HCOO]- 311.14350 182.2
[M+CH3COO]- 325.15915 206.7
[M+Na-2H]- 287.11997 163.5
[M]+ 266.14475 167.3
[M]- 266.14585 167.3
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.