PubChemLite - 5-formiminotetrahydrofolic acid (C20H24N8O6)

Structural Information

Molecular Formula

SMILES

C1C(N(C2=C(N1)N=C(NC2=O)N)C=N)CNC3=CC=C(C=C3)C(=O)NC(CCC(=O)O)C(=O)O

InChI

InChI=1S/C20H24N8O6/c21-9-28-12(8-24-16-15(28)18(32)27-20(22)26-16)7-23-11-3-1-10(2-4-11)17(31)25-13(19(33)34)5-6-14(29)30/h1-4,9,12-13,21,23H,5-8H2,(H,25,31)(H,29,30)(H,33,34)(H4,22,24,26,27,32)

InChIKey

YCWUVLPMLLBDCU-UHFFFAOYSA-N

Compound name

2-[[4-[(2-amino-5-methanimidoyl-4-oxo-3,6,7,8-tetrahydropteridin-6-yl)methylamino]benzoyl]amino]pentanedioic 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]+	473.18918	202.1
[M+Na]+	495.17112	205.9
[M+NH4]+	490.21572	200.4
[M+K]+	511.14506	206.8
[M-H]-	471.17462	199.7
[M+Na-2H]-	493.15657	201.0
[M]+	472.18135	200.5
[M]-	472.18245	200.5

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

473.18918

202.1

[M+Na]+

495.17112

205.9

[M+NH4]+

490.21572

200.4

[M+K]+

511.14506

206.8

[M-H]-

471.17462

199.7

[M+Na-2H]-

493.15657

201.0

[M]+

472.18135

200.5

[M]-

472.18245

200.5

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

5-formiminotetrahydrofolic acid

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

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