CID 205977

Phenol, 2-(2-methyl-5-(2-thienyl)-1h-pyrrol-1-yl)-

Structural Information

Molecular Formula
C15H13NOS
SMILES
CC1=CC=C(N1C2=CC=CC=C2O)C3=CC=CS3
InChI
InChI=1S/C15H13NOS/c1-11-8-9-13(15-7-4-10-18-15)16(11)12-5-2-3-6-14(12)17/h2-10,17H,1H3
InChIKey
ZPYYKPDUMOVCAI-UHFFFAOYSA-N
Compound name
2-(2-methyl-5-thiophen-2-ylpyrrol-1-yl)phenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

255.0718 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 256.07908 156.0
[M+Na]+ 278.06102 167.9
[M-H]- 254.06452 165.5
[M+NH4]+ 273.10562 175.9
[M+K]+ 294.03496 162.5
[M+H-H2O]+ 238.06906 149.9
[M+HCOO]- 300.07000 177.3
[M+CH3COO]- 314.08565 170.2
[M+Na-2H]- 276.04647 156.0
[M]+ 255.07125 160.1
[M]- 255.07235 160.1
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.