CID 136133795

Formyltetrahydrofolate

Structural Information

Molecular Formula
C20H23N7O7
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

compound 2d structure
1
Annotation Hits

5
References

644
Patents

473.1659 Da
Monoisotopic Mass

-0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[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 (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.