CID 6450818

Sotirimod

Structural Information

Molecular Formula

C₁₄H₁₇N₅

SMILES

CC1=NC2=C(N1CC(C)C)C3=C(C=CC=N3)N=C2N

InChI

InChI=1S/C14H17N5/c1-8(2)7-19-9(3)17-12-13(19)11-10(18-14(12)15)5-4-6-16-11/h4-6,8H,7H2,1-3H3,(H2,15,18)

InChIKey

ZXBCLVSLRUWISJ-UHFFFAOYSA-N

Compound name

2-methyl-1-(2-methylpropyl)imidazo[4,5-c][1,5]naphthyridin-4-amine

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 0
References: 540
Patents: 255.14839 Da
Monoisotopic Mass: 2.0
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]+	256.15567	161.9
[M+Na]+	278.13761	173.6
[M-H]-	254.14111	162.9
[M+NH4]+	273.18221	177.7
[M+K]+	294.11155	168.1
[M+H-H2O]+	238.14565	153.0
[M+HCOO]-	300.14659	180.7
[M+CH3COO]-	314.16224	173.6
[M+Na-2H]-	276.12306	167.1
[M]+	255.14784	164.7
[M]-	255.14894	164.7

Literature stripe

literature stripe

Patent stripe

patents stripe