CID 135403648

Folinic acid

Structural Information

Molecular Formula
C20H23N7O7
SMILES
C1C(N(C2=C(N1)N=C(NC2=O)N)C=O)CNC3=CC=C(C=C3)C(=O)N[C@@H](CCC(=O)O)C(=O)O
InChI
InChI=1S/C20H23N7O7/c21-20-25-16-15(18(32)26-20)27(9-28)12(8-23-16)7-22-11-3-1-10(2-4-11)17(31)24-13(19(33)34)5-6-14(29)30/h1-4,9,12-13,22H,5-8H2,(H,24,31)(H,29,30)(H,33,34)(H4,21,23,25,26,32)/t12?,13-/m0/s1
InChIKey
VVIAGPKUTFNRDU-ABLWVSNPSA-N
Compound name
(2S)-2-[[4-[(2-amino-5-formyl-4-oxo-3,6,7,8-tetrahydropteridin-6-yl)methylamino]benzoyl]amino]pentanedioic acid
Related CIDs

2D Structure

compound 2d structure
10
Annotation Hits

11947
References

125831
Patents

473.1659 Da
Monoisotopic Mass

-1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 474.17318 203.7
[M+Na]+ 496.15512 205.6
[M-H]- 472.15862 200.5
[M+NH4]+ 491.19972 202.4
[M+K]+ 512.12906 201.7
[M+H-H2O]+ 456.16316 193.5
[M+HCOO]- 518.16410 212.3
[M+CH3COO]- 532.17975 239.2
[M+Na-2H]- 494.14057 203.4
[M]+ 473.16535 198.8
[M]- 473.16645 198.8
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.