CID 319383

Nsc263523

Structural Information

Molecular Formula

C₁₉H₁₆N₂O

SMILES

CN1C2=CC=CC=C2C=C1C(=O)C3=CC4=CC=CC=C4N3C

InChI

InChI=1S/C19H16N2O/c1-20-15-9-5-3-7-13(15)11-17(20)19(22)18-12-14-8-4-6-10-16(14)21(18)2/h3-12H,1-2H3

InChIKey

DOMMWAJERIRNLC-UHFFFAOYSA-N

Compound name

bis(1-methylindol-2-yl)methanone

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 10
Patents: 288.12625 Da
Monoisotopic Mass: 4.1
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]+	289.13353	167.8
[M+Na]+	311.11547	180.3
[M-H]-	287.11897	175.7
[M+NH4]+	306.16007	186.9
[M+K]+	327.08941	174.1
[M+H-H2O]+	271.12351	159.9
[M+HCOO]-	333.12445	191.1
[M+CH3COO]-	347.14010	181.2
[M+Na-2H]-	309.10092	170.9
[M]+	288.12570	173.3
[M]-	288.12680	173.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe