CID 6336059

101041-95-6

Structural Information

Molecular Formula

C₁₁H₁₂N₂O₃S

SMILES

COC1=C(C=C2C(=C1)C=C(S2)/C(=N/O)/N)OC

InChI

InChI=1S/C11H12N2O3S/c1-15-7-3-6-4-10(11(12)13-14)17-9(6)5-8(7)16-2/h3-5,14H,1-2H3,(H2,12,13)

InChIKey

IPDSUEANXZXVLV-UHFFFAOYSA-N

Compound name

N'-hydroxy-5,6-dimethoxy-1-benzothiophene-2-carboximidamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 11
References: 58
Patents: 252.05687 Da
Monoisotopic Mass: 2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	253.06415	153.5
[M+Na]+	275.04609	163.7
[M+NH4]+	270.09069	161.3
[M+K]+	291.02003	158.5
[M-H]-	251.04959	155.8
[M+Na-2H]-	273.03154	157.9
[M]+	252.05632	155.8
[M]-	252.05742	155.8

Literature stripe

literature stripe

Patent stripe

patents stripe