CID 708468

53068-24-9

Structural Information

Molecular Formula
C11H17N3O2S
SMILES
COC1=C(C=C(C=C1)CCNC(=S)NN)OC
InChI
InChI=1S/C11H17N3O2S/c1-15-9-4-3-8(7-10(9)16-2)5-6-13-11(17)14-12/h3-4,7H,5-6,12H2,1-2H3,(H2,13,14,17)
InChIKey
QQXGPRQIXQPVTQ-UHFFFAOYSA-N
Compound name
1-amino-3-[2-(3,4-dimethoxyphenyl)ethyl]thiourea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

255.10414 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 256.11142 157.4
[M+Na]+ 278.09336 165.5
[M+NH4]+ 273.13796 164.2
[M+K]+ 294.06730 158.7
[M-H]- 254.09686 159.9
[M+Na-2H]- 276.07881 161.7
[M]+ 255.10359 159.3
[M]- 255.10469 159.3
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.