CID 3032657

16531-21-8

Structural Information

Molecular Formula
C14H22N2OS
SMILES
CCN(CC)CCNC(=S)C1=CC=C(C=C1)OC
InChI
InChI=1S/C14H22N2OS/c1-4-16(5-2)11-10-15-14(18)12-6-8-13(17-3)9-7-12/h6-9H,4-5,10-11H2,1-3H3,(H,15,18)
InChIKey
GNUMWZZQMANUJW-UHFFFAOYSA-N
Compound name
N-[2-(diethylamino)ethyl]-4-methoxybenzenecarbothioamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

266.1453 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 267.15258 163.6
[M+Na]+ 289.13452 168.2
[M-H]- 265.13802 167.9
[M+NH4]+ 284.17912 180.7
[M+K]+ 305.10846 165.5
[M+H-H2O]+ 249.14256 155.8
[M+HCOO]- 311.14350 182.8
[M+CH3COO]- 325.15915 205.8
[M+Na-2H]- 287.11997 164.1
[M]+ 266.14475 167.5
[M]- 266.14585 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.