PubChemLite - Formyltetrahydrofolate (C20H23N7O7)

Structural Information

Molecular Formula

SMILES

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

InChI

InChI=1S/C20H23N7O7/c21-20-26-16-15(18(31)27-20)24-12(8-23-16)7-22-11-3-1-10(2-4-11)17(30)25-13(19(32)33)5-6-14(29)34-9-28/h1-4,9,12-13,22,24H,5-8H2,(H,25,30)(H,32,33)(H4,21,23,26,27,31)

InChIKey

WKZGKZQVLRQTCT-UHFFFAOYSA-N

Compound name

2-[[4-[(2-amino-4-oxo-5,6,7,8-tetrahydro-3H-pteridin-6-yl)methylamino]benzoyl]amino]-5-formyloxy-5-oxopentanoic 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]+	474.17318	201.8
[M+Na]+	496.15512	203.0
[M-H]-	472.15862	198.4
[M+NH4]+	491.19972	200.4
[M+K]+	512.12906	199.0
[M+H-H2O]+	456.16316	191.5
[M+HCOO]-	518.16410	210.6
[M+CH3COO]-	532.17975	237.0
[M+Na-2H]-	494.14057	202.5
[M]+	473.16535	196.5
[M]-	473.16645	196.5

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

474.17318

201.8

[M+Na]+

496.15512

203.0

[M-H]-

472.15862

198.4

[M+NH4]+

491.19972

200.4

[M+K]+

512.12906

199.0

[M+H-H2O]+

456.16316

191.5

[M+HCOO]-

518.16410

210.6

[M+CH3COO]-

532.17975

237.0

[M+Na-2H]-

494.14057

202.5

[M]+

473.16535

196.5

[M]-

473.16645

196.5

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

Formyltetrahydrofolate

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

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