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

301
Patents

252.05687 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 253.06415 152.0
[M+Na]+ 275.04609 161.8
[M-H]- 251.04959 157.3
[M+NH4]+ 270.09069 172.3
[M+K]+ 291.02003 158.8
[M+H-H2O]+ 235.05413 146.2
[M+HCOO]- 297.05507 173.8
[M+CH3COO]- 311.07072 196.5
[M+Na-2H]- 273.03154 155.1
[M]+ 252.05632 157.7
[M]- 252.05742 157.7
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

patents stripe