CID 41856

Zindotrine

Structural Information

Molecular Formula

C₁₁H₁₅N₅

SMILES

CC1=CC(=NN2C1=NN=C2)N3CCCCC3

InChI

InChI=1S/C11H15N5/c1-9-7-10(15-5-3-2-4-6-15)14-16-8-12-13-11(9)16/h7-8H,2-6H2,1H3

InChIKey

YYHWOTFWBVRTQD-UHFFFAOYSA-N

Compound name

8-methyl-6-piperidin-1-yl-[1,2,4]triazolo[4,3-b]pyridazine

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 4
References: 249
Patents: 217.13275 Da
Monoisotopic Mass: 1.4
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]+	218.140026	150.4
[M+Na]+	240.121968	159.6
[M-H]-	216.125474	151.1
[M+NH4]+	235.166573	164.7
[M+K]+	256.095908	155.1
[M+H-H2O]+	200.130010	139.5
[M+HCOO]-	262.130951	166.6
[M+CH3COO]-	276.146601	161.4
[M+Na-2H]-	238.107416	156.1
[M]+	217.13220142	148.4
[M]-	217.13329858	148.4

Literature stripe

literature stripe

Patent stripe

patents stripe