CID 6410667

Sr 95082

Structural Information

Molecular Formula

C₁₇H₂₂N₄O₂

SMILES

CC1=CC(=NN=C1NCCN2CCOCC2)C3=CC(=CC=C3)O

InChI

InChI=1S/C17H22N4O2/c1-13-11-16(14-3-2-4-15(22)12-14)19-20-17(13)18-5-6-21-7-9-23-10-8-21/h2-4,11-12,22H,5-10H2,1H3,(H,18,20)

InChIKey

JSEAYSBUVCKTJQ-UHFFFAOYSA-N

Compound name

3-[5-methyl-6-(2-morpholin-4-ylethylamino)pyridazin-3-yl]phenol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 8
Patents: 314.1743 Da
Monoisotopic Mass: 1.7
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]+	315.181576	177.2
[M+Na]+	337.163518	182.2
[M-H]-	313.167024	181.3
[M+NH4]+	332.208123	184.6
[M+K]+	353.137458	177.8
[M+H-H2O]+	297.171560	165.5
[M+HCOO]-	359.172501	192.4
[M+CH3COO]-	373.188151	185.6
[M+Na-2H]-	335.148966	181.5
[M]+	314.17375142	173.8
[M]-	314.17484858	173.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe