CID 22630

6260-97-5

Structural Information

Molecular Formula

C₁₇H₁₄ClNO₂

SMILES

CC1=CC2=C(N1C(=O)C3=CC=C(C=C3)Cl)C=CC(=C2)OC

InChI

InChI=1S/C17H14ClNO2/c1-11-9-13-10-15(21-2)7-8-16(13)19(11)17(20)12-3-5-14(18)6-4-12/h3-10H,1-2H3

InChIKey

POZBHYDICLJVKQ-UHFFFAOYSA-N

Compound name

(4-chlorophenyl)-(5-methoxy-2-methylindol-1-yl)methanone

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 50
Patents: 299.07132 Da
Monoisotopic Mass: 4.8
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]+	300.07860	167.0
[M+Na]+	322.06054	179.1
[M-H]-	298.06404	174.5
[M+NH4]+	317.10514	185.2
[M+K]+	338.03448	173.0
[M+H-H2O]+	282.06858	159.9
[M+HCOO]-	344.06952	186.0
[M+CH3COO]-	358.08517	180.3
[M+Na-2H]-	320.04599	170.2
[M]+	299.07077	173.9
[M]-	299.07187	173.9

Literature stripe

literature stripe

Patent stripe

patents stripe