CID 64975329

5-amino-4-cyano-n-ethyl-3-methylthiophene-2-carboxamide

Structural Information

Molecular Formula
C9H11N3OS
SMILES
CCNC(=O)C1=C(C(=C(S1)N)C#N)C
InChI
InChI=1S/C9H11N3OS/c1-3-12-9(13)7-5(2)6(4-10)8(11)14-7/h3,11H2,1-2H3,(H,12,13)
InChIKey
WHGFEEIURURBAZ-UHFFFAOYSA-N
Compound name
5-amino-4-cyano-N-ethyl-3-methylthiophene-2-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

209.06229 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 210.06957 152.1
[M+Na]+ 232.05151 162.3
[M-H]- 208.05501 156.1
[M+NH4]+ 227.09611 170.9
[M+K]+ 248.02545 159.6
[M+H-H2O]+ 192.05955 139.7
[M+HCOO]- 254.06049 168.8
[M+CH3COO]- 268.07614 201.7
[M+Na-2H]- 230.03696 151.2
[M]+ 209.06174 148.3
[M]- 209.06284 148.3
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.