CID 200268

1h-indazole, 3-(3-(dimethylamino)propoxy)-1-methyl-, monohydrochloride

Structural Information

Molecular Formula

C₁₃H₁₉N₃O

SMILES

CN1C2=CC=CC=C2C(=N1)OCCCN(C)C

InChI

InChI=1S/C13H19N3O/c1-15(2)9-6-10-17-13-11-7-4-5-8-12(11)16(3)14-13/h4-5,7-8H,6,9-10H2,1-3H3

InChIKey

BNTROCZJDQYZQO-UHFFFAOYSA-N

Compound name

N,N-dimethyl-3-(1-methylindazol-3-yl)oxypropan-1-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 2
Patents: 233.15282 Da
Monoisotopic Mass: 2.3
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]+	234.160096	153.4
[M+Na]+	256.142038	162.6
[M-H]-	232.145544	157.1
[M+NH4]+	251.186643	172.4
[M+K]+	272.115978	160.4
[M+H-H2O]+	216.150080	145.2
[M+HCOO]-	278.151021	177.9
[M+CH3COO]-	292.166671	198.4
[M+Na-2H]-	254.127486	159.3
[M]+	233.15227142	159.5
[M]-	233.15336858	159.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe