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 173.3
[M+Na]+ 353.05012 184.2
[M-H]- 329.05362 180.9
[M+NH4]+ 348.09472 190.8
[M+K]+ 369.02406 178.5
[M+H-H2O]+ 313.05816 166.4
[M+HCOO]- 375.05910 190.6
[M+CH3COO]- 389.07475 185.4
[M+Na-2H]- 351.03557 174.5
[M]+ 330.06035 180.1
[M]- 330.06145 180.1
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.