CID 135491525

Schembl5003050

Structural Information

Molecular Formula

C₁₅H₁₃N₃OS

SMILES

C1=CSC(=C1)CNC2=NC(=CN=C2)C3=CC=C(C=C3)O

InChI

InChI=1S/C15H13N3OS/c19-12-5-3-11(4-6-12)14-9-16-10-15(18-14)17-8-13-2-1-7-20-13/h1-7,9-10,19H,8H2,(H,17,18)

InChIKey

HFPSTFIBIJVJGV-UHFFFAOYSA-N

Compound name

4-[6-(thiophen-2-ylmethylamino)pyrazin-2-yl]phenol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 3
Patents: 283.07794 Da
Monoisotopic Mass: 2.6
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]+	284.085216	161.1
[M+Na]+	306.067158	169.9
[M-H]-	282.070664	167.7
[M+NH4]+	301.111763	175.6
[M+K]+	322.041098	163.6
[M+H-H2O]+	266.075200	152.5
[M+HCOO]-	328.076141	179.7
[M+CH3COO]-	342.091791	172.7
[M+Na-2H]-	304.052606	164.4
[M]+	283.07739142	161.9
[M]-	283.07848858	161.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe