CID 65796

Nictindole

Structural Information

Molecular Formula

C₁₇H₁₆N₂O

SMILES

CC(C)C1=C(C2=CC=CC=C2N1)C(=O)C3=CN=CC=C3

InChI

InChI=1S/C17H16N2O/c1-11(2)16-15(13-7-3-4-8-14(13)19-16)17(20)12-6-5-9-18-10-12/h3-11,19H,1-2H3

InChIKey

SOOXXPIIPHUERK-UHFFFAOYSA-N

Compound name

(2-propan-2-yl-1H-indol-3-yl)-pyridin-3-ylmethanone

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 14
References: 809
Patents: 264.12625 Da
Monoisotopic Mass: 3.5
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]+	265.13353	161.4
[M+Na]+	287.11547	170.1
[M-H]-	263.11897	165.6
[M+NH4]+	282.16007	177.3
[M+K]+	303.08941	164.4
[M+H-H2O]+	247.12351	153.0
[M+HCOO]-	309.12445	181.0
[M+CH3COO]-	323.14010	173.0
[M+Na-2H]-	285.10092	164.9
[M]+	264.12570	162.0
[M]-	264.12680	162.0

Literature stripe

literature stripe

Patent stripe

patents stripe