CID 3038188

Brn 2117479

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]+ 267.152576 164.0
[M+Na]+ 289.134518 168.3
[M-H]- 265.138024 168.4
[M+NH4]+ 284.179123 181.1
[M+K]+ 305.108458 166.2
[M+H-H2O]+ 249.142560 156.4
[M+HCOO]- 311.143501 182.2
[M+CH3COO]- 325.159151 206.7
[M+Na-2H]- 287.119966 163.5
[M]+ 266.14475142 167.3
[M]- 266.14584858 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.