CID 3565422

58710-56-8

Structural Information

Molecular Formula

C₁₇H₁₇N₃

SMILES

CN1C(C2CCC3=CC=CC=C3C2=N1)C4=CC=NC=C4

InChI

InChI=1S/C17H17N3/c1-20-17(13-8-10-18-11-9-13)15-7-6-12-4-2-3-5-14(12)16(15)19-20/h2-5,8-11,15,17H,6-7H2,1H3

InChIKey

AVLMHEMRSUQVEX-UHFFFAOYSA-N

Compound name

2-methyl-3-pyridin-4-yl-3,3a,4,5-tetrahydrobenzo[g]indazole

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 263.14224 Da
Monoisotopic Mass: 2.8
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]+	264.149516	162.6
[M+Na]+	286.131458	171.4
[M-H]-	262.134964	166.8
[M+NH4]+	281.176063	178.8
[M+K]+	302.105398	165.0
[M+H-H2O]+	246.139500	152.4
[M+HCOO]-	308.140441	179.3
[M+CH3COO]-	322.156091	173.5
[M+Na-2H]-	284.116906	167.4
[M]+	263.14169142	160.6
[M]-	263.14278858	160.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe