CID 2815529

Ccg-46701

Structural Information

Molecular Formula
C18H16N2O3S2
SMILES
COC1=CC=CC(=C1)CC(=O)NNC(=O)C2=CC=C(S2)C3=CC=CS3
InChI
InChI=1S/C18H16N2O3S2/c1-23-13-5-2-4-12(10-13)11-17(21)19-20-18(22)16-8-7-15(25-16)14-6-3-9-24-14/h2-10H,11H2,1H3,(H,19,21)(H,20,22)
InChIKey
GPIMBDIUUDWERD-UHFFFAOYSA-N
Compound name
N'-[2-(3-methoxyphenyl)acetyl]-5-thiophen-2-ylthiophene-2-carbohydrazide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

0
Patents

372.06024 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 373.067516 187.7
[M+Na]+ 395.049458 195.6
[M-H]- 371.052964 198.4
[M+NH4]+ 390.094063 203.7
[M+K]+ 411.023398 190.2
[M+H-H2O]+ 355.057500 180.9
[M+HCOO]- 417.058441 205.6
[M+CH3COO]- 431.074091 213.8
[M+Na-2H]- 393.034906 186.1
[M]+ 372.05969142 193.3
[M]- 372.06078858 193.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.