CID 3038197

Brn 2123605

Structural Information

Molecular Formula
C15H24N2OS
SMILES
CC(C)COC1=CC=C(C=C1)C(=S)NCCN(C)C
InChI
InChI=1S/C15H24N2OS/c1-12(2)11-18-14-7-5-13(6-8-14)15(19)16-9-10-17(3)4/h5-8,12H,9-11H2,1-4H3,(H,16,19)
InChIKey
YFXYSRPSIRHSTH-UHFFFAOYSA-N
Compound name
N-[2-(dimethylamino)ethyl]-4-(2-methylpropoxy)benzenecarbothioamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

280.16095 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 281.16823 168.1
[M+Na]+ 303.15017 177.0
[M+NH4]+ 298.19477 175.7
[M+K]+ 319.12411 169.1
[M-H]- 279.15367 171.0
[M+Na-2H]- 301.13562 172.7
[M]+ 280.16040 170.5
[M]- 280.16150 170.5
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.