CID 11515637

Fx7ef8axc3

Structural Information

Molecular Formula
C11H8N4OS
SMILES
C1=CC(=C2C=C(SC2=C1)C(=O)N=C(N)N)C#N
InChI
InChI=1S/C11H8N4OS/c12-5-6-2-1-3-8-7(6)4-9(17-8)10(16)15-11(13)14/h1-4H,(H4,13,14,15,16)
InChIKey
WGKIDCRTLNUROQ-UHFFFAOYSA-N
Compound name
4-cyano-N-(diaminomethylidene)-1-benzothiophene-2-carboxamide
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

9
References

27
Patents

244.04189 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 245.04917 165.7
[M+Na]+ 267.03111 176.5
[M-H]- 243.03461 170.6
[M+NH4]+ 262.07571 183.6
[M+K]+ 283.00505 171.8
[M+H-H2O]+ 227.03915 152.5
[M+HCOO]- 289.04009 183.7
[M+CH3COO]- 303.05574 209.2
[M+Na-2H]- 265.01656 166.6
[M]+ 244.04134 161.2
[M]- 244.04244 161.2
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.