CID 3033457

Brn 2739352

Structural Information

Molecular Formula
C14H22N2O2S
SMILES
CN(C)CCCNC(=S)C1=CC(=C(C=C1)OC)OC
InChI
InChI=1S/C14H22N2O2S/c1-16(2)9-5-8-15-14(19)11-6-7-12(17-3)13(10-11)18-4/h6-7,10H,5,8-9H2,1-4H3,(H,15,19)
InChIKey
RLCHTPAZSIHTLQ-UHFFFAOYSA-N
Compound name
N-[3-(dimethylamino)propyl]-3,4-dimethoxybenzenecarbothioamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

282.1402 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 283.14748 166.6
[M+Na]+ 305.12942 171.9
[M-H]- 281.13292 171.2
[M+NH4]+ 300.17402 183.3
[M+K]+ 321.10336 169.8
[M+H-H2O]+ 265.13746 158.8
[M+HCOO]- 327.13840 186.0
[M+CH3COO]- 341.15405 209.0
[M+Na-2H]- 303.11487 166.6
[M]+ 282.13965 172.3
[M]- 282.14075 172.3
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.