CID 7728675

3,4-dimethoxybenzaldehyde n-ethylthiosemicarbazone

Structural Information

Molecular Formula
C12H17N3O2S
SMILES
CCNC(=S)N/N=C/C1=CC(=C(C=C1)OC)OC
InChI
InChI=1S/C12H17N3O2S/c1-4-13-12(18)15-14-8-9-5-6-10(16-2)11(7-9)17-3/h5-8H,4H2,1-3H3,(H2,13,15,18)/b14-8+
InChIKey
LCTMUTFSFVDACD-RIYZIHGNSA-N
Compound name
1-[(E)-(3,4-dimethoxyphenyl)methylideneamino]-3-ethylthiourea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

267.10416 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 268.11144 161.7
[M+Na]+ 290.09338 170.5
[M+NH4]+ 285.13798 168.6
[M+K]+ 306.06732 162.7
[M-H]- 266.09688 164.6
[M+Na-2H]- 288.07883 166.6
[M]+ 267.10361 163.9
[M]- 267.10471 163.9
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.