CID 3068044

3-(2-(dimethylamino)ethylamino)indazole

Structural Information

Molecular Formula

C₁₁H₁₆N₄

SMILES

CN(C)CCNC1=NNC2=CC=CC=C21

InChI

InChI=1S/C11H16N4/c1-15(2)8-7-12-11-9-5-3-4-6-10(9)13-14-11/h3-6H,7-8H2,1-2H3,(H2,12,13,14)

InChIKey

WGACVTNJAJTWFD-UHFFFAOYSA-N

Compound name

N-(1H-indazol-3-yl)-N',N'-dimethylethane-1,2-diamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 7
Patents: 204.1375 Da
Monoisotopic Mass: 1.9
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]+	205.144776	144.1
[M+Na]+	227.126718	151.9
[M-H]-	203.130224	146.3
[M+NH4]+	222.171323	162.9
[M+K]+	243.100658	148.9
[M+H-H2O]+	187.134760	136.0
[M+HCOO]-	249.135701	168.6
[M+CH3COO]-	263.151351	191.6
[M+Na-2H]-	225.112166	152.0
[M]+	204.13695142	145.1
[M]-	204.13804858	145.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe