CID 499640

Nsc692359

Structural Information

Molecular Formula

C₂₂H₂₂N₂O₄

SMILES

COC(=O)CC1C(NC2=CC=CC=C12)C3=C(C4=CC=CC=C4N3)CC(=O)OC

InChI

InChI=1S/C22H22N2O4/c1-27-19(25)11-15-13-7-3-5-9-17(13)23-21(15)22-16(12-20(26)28-2)14-8-4-6-10-18(14)24-22/h3-10,15,21,23-24H,11-12H2,1-2H3

InChIKey

SXRCIANNDWDFLB-UHFFFAOYSA-N

Compound name

methyl 2-[2-[3-(2-methoxy-2-oxoethyl)-1H-indol-2-yl]-2,3-dihydro-1H-indol-3-yl]acetate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 378.15796 Da
Monoisotopic Mass: 3.0
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]+	379.165236	191.0
[M+Na]+	401.147178	198.4
[M-H]-	377.150684	195.2
[M+NH4]+	396.191783	204.4
[M+K]+	417.121118	192.7
[M+H-H2O]+	361.155220	183.2
[M+HCOO]-	423.156161	207.1
[M+CH3COO]-	437.171811	200.2
[M+Na-2H]-	399.132626	189.4
[M]+	378.15741142	193.8
[M]-	378.15850858	193.8

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.