CID 21685979

3418-69-7

Structural Information

Molecular Formula

C₁₈H₁₅NO₂

SMILES

C1CN2C3=C(C=C(C=C3)OCC4=CC=CC=C4)C=C2C1=O

InChI

InChI=1S/C18H15NO2/c20-18-8-9-19-16-7-6-15(10-14(16)11-17(18)19)21-12-13-4-2-1-3-5-13/h1-7,10-11H,8-9,12H2

InChIKey

KGYXZUGVROUFOU-UHFFFAOYSA-N

Compound name

6-phenylmethoxy-1,2-dihydropyrrolo[1,2-a]indol-3-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 33
Patents: 277.1103 Da
Monoisotopic Mass: 3.2
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]+	278.117576	162.8
[M+Na]+	300.099518	173.1
[M-H]-	276.103024	171.0
[M+NH4]+	295.144123	183.2
[M+K]+	316.073458	167.7
[M+H-H2O]+	260.107560	155.5
[M+HCOO]-	322.108501	186.2
[M+CH3COO]-	336.124151	176.0
[M+Na-2H]-	298.084966	166.6
[M]+	277.10975142	166.2
[M]-	277.11084858	166.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe