CID 3064778

Hydroxyfasudil

Structural Information

Molecular Formula

C₁₄H₁₇N₃O₃S

SMILES

C1CNCCN(C1)S(=O)(=O)C2=CC=CC3=C2C=CNC3=O

InChI

InChI=1S/C14H17N3O3S/c18-14-12-3-1-4-13(11(12)5-7-16-14)21(19,20)17-9-2-6-15-8-10-17/h1,3-5,7,15H,2,6,8-10H2,(H,16,18)

InChIKey

ZAVGJDAFCZAWSZ-UHFFFAOYSA-N

Compound name

5-(1,4-diazepan-1-ylsulfonyl)-2H-isoquinolin-1-one

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 127
References: 1338
Patents: 307.09906 Da
Monoisotopic Mass: 0.2
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]+	308.10634	169.9
[M+Na]+	330.08828	179.5
[M+NH4]+	325.13288	175.1
[M+K]+	346.06222	173.9
[M-H]-	306.09178	170.1
[M+Na-2H]-	328.07373	174.4
[M]+	307.09851	171.6
[M]-	307.09961	171.6

Literature stripe

literature stripe

Patent stripe

patents stripe