CID 6888395

308096-05-1

Structural Information

Molecular Formula
C17H15N3O2S2
SMILES
C/C(=C\C1=CC=CO1)/C=N/NC(=O)CSC2=NC3=CC=CC=C3S2
InChI
InChI=1S/C17H15N3O2S2/c1-12(9-13-5-4-8-22-13)10-18-20-16(21)11-23-17-19-14-6-2-3-7-15(14)24-17/h2-10H,11H2,1H3,(H,20,21)/b12-9+,18-10+
InChIKey
GOSHICJFRHPLIL-QLEPDINUSA-N
Compound name
2-(1,3-benzothiazol-2-ylsulfanyl)-N-[(E)-[(E)-3-(furan-2-yl)-2-methylprop-2-enylidene]amino]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

357.06058 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 358.06786 183.7
[M+Na]+ 380.04980 192.7
[M-H]- 356.05330 192.6
[M+NH4]+ 375.09440 199.7
[M+K]+ 396.02374 188.2
[M+H-H2O]+ 340.05784 177.4
[M+HCOO]- 402.05878 200.2
[M+CH3COO]- 416.07443 195.0
[M+Na-2H]- 378.03525 184.4
[M]+ 357.06003 190.7
[M]- 357.06113 190.7
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.