PubChemLite - 1219416-81-5 (C28H24N2O5)

Structural Information

Molecular Formula

SMILES

COC1=CC2=C(C=C1)NC3=C2CCN(C3C(=O)O)C(=O)OCC4C5=CC=CC=C5C6=CC=CC=C46

InChI

InChI=1S/C28H24N2O5/c1-34-16-10-11-24-22(14-16)21-12-13-30(26(27(31)32)25(21)29-24)28(33)35-15-23-19-8-4-2-6-17(19)18-7-3-5-9-20(18)23/h2-11,14,23,26,29H,12-13,15H2,1H3,(H,31,32)

InChIKey

JUENHMAHPHBWKQ-UHFFFAOYSA-N

Compound name

2-(9H-fluoren-9-ylmethoxycarbonyl)-6-methoxy-1,3,4,9-tetrahydropyrido[3,4-b]indole-1-carboxylic acid

Related CIDs

2D Structure

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]+	469.17580	210.3
[M+Na]+	491.15774	216.9
[M-H]-	467.16124	216.0
[M+NH4]+	486.20234	221.2
[M+K]+	507.13168	210.6
[M+H-H2O]+	451.16578	201.4
[M+HCOO]-	513.16672	221.6
[M+CH3COO]-	527.18237	217.5
[M+Na-2H]-	489.14319	208.6
[M]+	468.16797	212.9
[M]-	468.16907	212.9

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

469.17580

210.3

[M+Na]+

491.15774

216.9

[M-H]-

467.16124

216.0

[M+NH4]+

486.20234

221.2

[M+K]+

507.13168

210.6

[M+H-H2O]+

451.16578

201.4

[M+HCOO]-

513.16672

221.6

[M+CH3COO]-

527.18237

217.5

[M+Na-2H]-

489.14319

208.6

[M]+

468.16797

212.9

[M]-

468.16907

212.9

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.

1219416-81-5

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

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