CID 2738997

Maybridge1_007383

Structural Information

Molecular Formula

C₁₀H₁₀N₄OS

SMILES

CSC1=NC(=C(N1CC2=CC=CO2)C#N)N

InChI

InChI=1S/C10H10N4OS/c1-16-10-13-9(12)8(5-11)14(10)6-7-3-2-4-15-7/h2-4H,6,12H2,1H3

InChIKey

CZTRJIPSSAGDEX-UHFFFAOYSA-N

Compound name

5-amino-3-(furan-2-ylmethyl)-2-methylsulfanylimidazole-4-carbonitrile

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 3
References: 0
Patents: 234.05753 Da
Monoisotopic Mass: 1.8
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]+	235.064806	152.2
[M+Na]+	257.046748	165.4
[M-H]-	233.050254	156.9
[M+NH4]+	252.091353	168.4
[M+K]+	273.020688	162.6
[M+H-H2O]+	217.054790	138.0
[M+HCOO]-	279.055731	169.1
[M+CH3COO]-	293.071381	164.3
[M+Na-2H]-	255.032196	152.6
[M]+	234.05698142	151.8
[M]-	234.05807858	151.8

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.