CID 3042990

Brn 1003495

Structural Information

Molecular Formula

C₁₄H₁₂N₂OS

SMILES

C1CN2C(=N1)C3=CC=CC=C3C2(C4=CC=CS4)O

InChI

InChI=1S/C14H12N2OS/c17-14(12-6-3-9-18-12)11-5-2-1-4-10(11)13-15-7-8-16(13)14/h1-6,9,17H,7-8H2

InChIKey

QKNPGVNMGIVELF-UHFFFAOYSA-N

Compound name

5-thiophen-2-yl-2,3-dihydroimidazo[1,2-b]isoindol-5-ol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 256.06705 Da
Monoisotopic Mass: 1.3
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]+	257.074326	156.8
[M+Na]+	279.056268	168.7
[M-H]-	255.059774	163.5
[M+NH4]+	274.100873	181.0
[M+K]+	295.030208	164.4
[M+H-H2O]+	239.064310	151.9
[M+HCOO]-	301.065251	173.9
[M+CH3COO]-	315.080901	170.3
[M+Na-2H]-	277.041716	157.9
[M]+	256.06650142	160.0
[M]-	256.06759858	160.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe