PubChemLite - 169396-92-3 (C26H26N4O7)

Structural Information

Molecular Formula

SMILES

CC1=CN(C(=O)NC1=O)CC(=O)N(CCNC(=O)OCC2C3=CC=CC=C3C4=CC=CC=C24)CC(=O)O

InChI

InChI=1S/C26H26N4O7/c1-16-12-30(25(35)28-24(16)34)13-22(31)29(14-23(32)33)11-10-27-26(36)37-15-21-19-8-4-2-6-17(19)18-7-3-5-9-20(18)21/h2-9,12,21H,10-11,13-15H2,1H3,(H,27,36)(H,32,33)(H,28,34,35)

InChIKey

REUYSHQBEXUIRY-UHFFFAOYSA-N

Compound name

2-[2-(9H-fluoren-9-ylmethoxycarbonylamino)ethyl-[2-(5-methyl-2,4-dioxopyrimidin-1-yl)acetyl]amino]acetic 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]+	507.18743	215.5
[M+Na]+	529.16937	219.4
[M-H]-	505.17287	220.2
[M+NH4]+	524.21397	220.8
[M+K]+	545.14331	216.4
[M+H-H2O]+	489.17741	205.4
[M+HCOO]-	551.17835	231.5
[M+CH3COO]-	565.19400	246.1
[M+Na-2H]-	527.15482	215.2
[M]+	506.17960	220.3
[M]-	506.18070	220.3

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

507.18743

215.5

[M+Na]+

529.16937

219.4

[M-H]-

505.17287

220.2

[M+NH4]+

524.21397

220.8

[M+K]+

545.14331

216.4

[M+H-H2O]+

489.17741

205.4

[M+HCOO]-

551.17835

231.5

[M+CH3COO]-

565.19400

246.1

[M+Na-2H]-

527.15482

215.2

[M]+

506.17960

220.3

[M]-

506.18070

220.3

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

169396-92-3

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

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