PubChemLite - 10-formyldihydrofolate (C20H21N7O7)

Structural Information

Molecular Formula

SMILES

C1C(=NC2=C(N1)N=C(NC2=O)N)CN(C=O)C3=CC=C(C=C3)C(=O)N[C@@H](CCC(=O)O)C(=O)O

InChI

InChI=1S/C20H21N7O7/c21-20-25-16-15(18(32)26-20)23-11(7-22-16)8-27(9-28)12-3-1-10(2-4-12)17(31)24-13(19(33)34)5-6-14(29)30/h1-4,9,13H,5-8H2,(H,24,31)(H,29,30)(H,33,34)(H4,21,22,25,26,32)/t13-/m0/s1

InChIKey

UXFQDXABPXWSTK-ZDUSSCGKSA-N

Compound name

(2S)-2-[[4-[(2-amino-4-oxo-7,8-dihydro-3H-pteridin-6-yl)methyl-formylamino]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]+	472.15752	200.2
[M+Na]+	494.13946	205.5
[M+NH4]+	489.18406	198.8
[M+K]+	510.11340	206.7
[M-H]-	470.14296	197.6
[M+Na-2H]-	492.12491	200.4
[M]+	471.14969	199.0
[M]-	471.15079	199.0

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

472.15752

200.2

[M+Na]+

494.13946

205.5

[M+NH4]+

489.18406

198.8

[M+K]+

510.11340

206.7

[M-H]-

470.14296

197.6

[M+Na-2H]-

492.12491

200.4

[M]+

471.14969

199.0

[M]-

471.15079

199.0

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

10-formyldihydrofolate

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe