CID 3038077

Brn 2808230

Structural Information

Molecular Formula
C14H22N2OS
SMILES
CCCOC1=CC=C(C=C1)C(=S)NCCN(C)C
InChI
InChI=1S/C14H22N2OS/c1-4-11-17-13-7-5-12(6-8-13)14(18)15-9-10-16(2)3/h5-8H,4,9-11H2,1-3H3,(H,15,18)
InChIKey
WSINAHHNKHVZSD-UHFFFAOYSA-N
Compound name
N-[2-(dimethylamino)ethyl]-4-propoxybenzenecarbothioamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

266.1453 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 267.152576 163.6
[M+Na]+ 289.134518 168.2
[M-H]- 265.138024 167.9
[M+NH4]+ 284.179123 180.7
[M+K]+ 305.108458 165.5
[M+H-H2O]+ 249.142560 155.8
[M+HCOO]- 311.143501 182.8
[M+CH3COO]- 325.159151 205.8
[M+Na-2H]- 287.119966 164.1
[M]+ 266.14475142 167.5
[M]- 266.14584858 167.5
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.