CID 3033458

Brn 2762252

Structural Information

Molecular Formula
C15H24N2O3S
SMILES
CN(C)CCCNC(=S)C1=CC(=C(C(=C1)OC)OC)OC
InChI
InChI=1S/C15H24N2O3S/c1-17(2)8-6-7-16-15(21)11-9-12(18-3)14(20-5)13(10-11)19-4/h9-10H,6-8H2,1-5H3,(H,16,21)
InChIKey
NFOFIBHBLIQTJS-UHFFFAOYSA-N
Compound name
N-[3-(dimethylamino)propyl]-3,4,5-trimethoxybenzenecarbothioamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

312.15076 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 313.15804 173.8
[M+Na]+ 335.13998 179.3
[M-H]- 311.14348 178.5
[M+NH4]+ 330.18458 189.4
[M+K]+ 351.11392 177.6
[M+H-H2O]+ 295.14802 165.8
[M+HCOO]- 357.14896 193.0
[M+CH3COO]- 371.16461 215.3
[M+Na-2H]- 333.12543 172.8
[M]+ 312.15021 181.6
[M]- 312.15131 181.6
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.