CID 3042969

Methanone, (4-amino-3-hydroxyphenyl)-2-thienyl-

Structural Information

Molecular Formula
C11H9NO2S
SMILES
C1=CSC(=C1)C(=O)C2=CC(=C(C=C2)N)O
InChI
InChI=1S/C11H9NO2S/c12-8-4-3-7(6-9(8)13)11(14)10-2-1-5-15-10/h1-6,13H,12H2
InChIKey
RPKIEVYYKYOJQZ-UHFFFAOYSA-N
Compound name
(4-amino-3-hydroxyphenyl)-thiophen-2-ylmethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

219.0354 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 220.042676 146.0
[M+Na]+ 242.024618 154.7
[M-H]- 218.028124 151.9
[M+NH4]+ 237.069223 165.6
[M+K]+ 257.998558 150.4
[M+H-H2O]+ 202.032660 140.1
[M+HCOO]- 264.033601 165.5
[M+CH3COO]- 278.049251 184.8
[M+Na-2H]- 240.010066 146.7
[M]+ 219.03485142 146.0
[M]- 219.03594858 146.0
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.