CID 9574544

178869-91-5

Structural Information

Molecular Formula
C15H16N2O3S
SMILES
CC1=C(C=CO1)C(=S)NC2=CC(=C(C=C2)OC)/C=N/OC
InChI
InChI=1S/C15H16N2O3S/c1-10-13(6-7-20-10)15(21)17-12-4-5-14(18-2)11(8-12)9-16-19-3/h4-9H,1-3H3,(H,17,21)/b16-9+
InChIKey
ZCQJFISKHKYVCS-CXUHLZMHSA-N
Compound name
N-[4-methoxy-3-[(E)-methoxyiminomethyl]phenyl]-2-methylfuran-3-carbothioamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

304.08817 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 305.09545 171.1
[M+Na]+ 327.07739 179.2
[M-H]- 303.08089 180.6
[M+NH4]+ 322.12199 187.6
[M+K]+ 343.05133 176.9
[M+H-H2O]+ 287.08543 163.6
[M+HCOO]- 349.08637 193.4
[M+CH3COO]- 363.10202 208.6
[M+Na-2H]- 325.06284 172.3
[M]+ 304.08762 177.8
[M]- 304.08872 177.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.