CID 198053

Oi 77

Structural Information

Molecular Formula

C₁₇H₁₈N₂O

SMILES

CC1C2=CC=CC=C2C3=CC=CC=C3N1C(=O)CNC

InChI

InChI=1S/C17H18N2O/c1-12-13-7-3-4-8-14(13)15-9-5-6-10-16(15)19(12)17(20)11-18-2/h3-10,12,18H,11H2,1-2H3

InChIKey

IDFVDELZSONDFL-UHFFFAOYSA-N

Compound name

2-(methylamino)-1-(6-methyl-6H-phenanthridin-5-yl)ethanone

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 2
Patents: 266.1419 Da
Monoisotopic Mass: 2.5
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]+	267.149176	161.5
[M+Na]+	289.131118	169.1
[M-H]-	265.134624	165.3
[M+NH4]+	284.175723	178.7
[M+K]+	305.105058	164.2
[M+H-H2O]+	249.139160	153.4
[M+HCOO]-	311.140101	180.6
[M+CH3COO]-	325.155751	172.7
[M+Na-2H]-	287.116566	167.9
[M]+	266.14135142	161.2
[M]-	266.14244858	161.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe