CID 6863960

303105-78-4

Structural Information

Molecular Formula
C15H14N4OS2
SMILES
CN1C=CC=C1/C=N/NC(=O)CSC2=NC3=CC=CC=C3S2
InChI
InChI=1S/C15H14N4OS2/c1-19-8-4-5-11(19)9-16-18-14(20)10-21-15-17-12-6-2-3-7-13(12)22-15/h2-9H,10H2,1H3,(H,18,20)/b16-9+
InChIKey
VORANSNEGYIJMH-CXUHLZMHSA-N
Compound name
2-(1,3-benzothiazol-2-ylsulfanyl)-N-[(E)-(1-methylpyrrol-2-yl)methylideneamino]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

330.0609 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 331.06818 172.2
[M+Na]+ 353.05012 183.1
[M+NH4]+ 348.09472 180.3
[M+K]+ 369.02406 175.6
[M-H]- 329.05362 176.3
[M+Na-2H]- 351.03557 178.4
[M]+ 330.06035 175.6
[M]- 330.06145 175.6
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.