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]+ 283.147476 166.6
[M+Na]+ 305.129418 171.9
[M-H]- 281.132924 171.2
[M+NH4]+ 300.174023 183.3
[M+K]+ 321.103358 169.8
[M+H-H2O]+ 265.137460 158.8
[M+HCOO]- 327.138401 186.0
[M+CH3COO]- 341.154051 209.0
[M+Na-2H]- 303.114866 166.6
[M]+ 282.13965142 172.3
[M]- 282.14074858 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.