CID 8105872

Ethyl 3-methyl-5-(n'-methylbenzeneimidamido)thiophene-2-carboxylate

Structural Information

Molecular Formula
C16H18N2O2S
SMILES
CCOC(=O)C1=C(C=C(S1)NC(=NC)C2=CC=CC=C2)C
InChI
InChI=1S/C16H18N2O2S/c1-4-20-16(19)14-11(2)10-13(21-14)18-15(17-3)12-8-6-5-7-9-12/h5-10H,4H2,1-3H3,(H,17,18)
InChIKey
MKAYROOSQUHAFU-UHFFFAOYSA-N
Compound name
ethyl 3-methyl-5-[(N-methyl-C-phenylcarbonimidoyl)amino]thiophene-2-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

302.1089 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 303.11618 172.0
[M+Na]+ 325.09812 181.9
[M+NH4]+ 320.14272 179.6
[M+K]+ 341.07206 175.3
[M-H]- 301.10162 176.3
[M+Na-2H]- 323.08357 178.2
[M]+ 302.10835 174.8
[M]- 302.10945 174.8
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.