CID 3033470

69353-46-4

Structural Information

Molecular Formula
C20H34N2O3S
SMILES
CCN(CC)CCCNC(=S)C1=CC(=C(C(=C1)OCC)OCC)OCC
InChI
InChI=1S/C20H34N2O3S/c1-6-22(7-2)13-11-12-21-20(26)16-14-17(23-8-3)19(25-10-5)18(15-16)24-9-4/h14-15H,6-13H2,1-5H3,(H,21,26)
InChIKey
NTXNAKABYDLSFD-UHFFFAOYSA-N
Compound name
N-[3-(diethylamino)propyl]-3,4,5-triethoxybenzenecarbothioamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

382.229 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 383.23628 195.8
[M+Na]+ 405.21822 199.0
[M-H]- 381.22172 199.4
[M+NH4]+ 400.26282 208.5
[M+K]+ 421.19216 196.2
[M+H-H2O]+ 365.22626 186.8
[M+HCOO]- 427.22720 213.3
[M+CH3COO]- 441.24285 230.0
[M+Na-2H]- 403.20367 192.4
[M]+ 382.22845 205.3
[M]- 382.22955 205.3
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.