CID 3038092

18051-52-0

Structural Information

Molecular Formula
C16H26N2OS
SMILES
CCCOC1=CC=C(C=C1)C(=S)NCCN(CC)CC
InChI
InChI=1S/C16H26N2OS/c1-4-13-19-15-9-7-14(8-10-15)16(20)17-11-12-18(5-2)6-3/h7-10H,4-6,11-13H2,1-3H3,(H,17,20)
InChIKey
AJAPZUMZKXEGCU-UHFFFAOYSA-N
Compound name
N-[2-(diethylamino)ethyl]-4-propoxybenzenecarbothioamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

294.17657 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 295.18385 172.4
[M+Na]+ 317.16579 176.1
[M-H]- 293.16929 176.3
[M+NH4]+ 312.21039 188.4
[M+K]+ 333.13973 173.0
[M+H-H2O]+ 277.17383 164.2
[M+HCOO]- 339.17477 191.0
[M+CH3COO]- 353.19042 211.8
[M+Na-2H]- 315.15124 172.0
[M]+ 294.17602 177.0
[M]- 294.17712 177.0
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.