PubChemLite - 1219279-39-6 (C27H24N2O4)

Structural Information

Molecular Formula

SMILES

CC1=C2C(=CC=C1)NC=C2CC(C(=O)O)NC(=O)OCC3C4=CC=CC=C4C5=CC=CC=C35

InChI

InChI=1S/C27H24N2O4/c1-16-7-6-12-23-25(16)17(14-28-23)13-24(26(30)31)29-27(32)33-15-22-20-10-4-2-8-18(20)19-9-3-5-11-21(19)22/h2-12,14,22,24,28H,13,15H2,1H3,(H,29,32)(H,30,31)

InChIKey

KMNOFHSFGLLUIN-UHFFFAOYSA-N

Compound name

2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-(4-methyl-1H-indol-3-yl)propanoic 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]+	441.18088	204.8
[M+Na]+	463.16282	210.4
[M-H]-	439.16632	211.0
[M+NH4]+	458.20742	217.1
[M+K]+	479.13676	204.4
[M+H-H2O]+	423.17086	197.0
[M+HCOO]-	485.17180	221.3
[M+CH3COO]-	499.18745	212.8
[M+Na-2H]-	461.14827	204.2
[M]+	440.17305	207.6
[M]-	440.17415	207.6

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

441.18088

204.8

[M+Na]+

463.16282

210.4

[M-H]-

439.16632

211.0

[M+NH4]+

458.20742

217.1

[M+K]+

479.13676

204.4

[M+H-H2O]+

423.17086

197.0

[M+HCOO]-

485.17180

221.3

[M+CH3COO]-

499.18745

212.8

[M+Na-2H]-

461.14827

204.2

[M]+

440.17305

207.6

[M]-

440.17415

207.6

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

1219279-39-6

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

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