CID 3067851

Glutamic acid, n-(4-(((2,4-diamino-6-pteridinyl)methyl)methylamino)-2-methoxybenzoyl)-, l-

Structural Information

Molecular Formula
C21H24N8O6
SMILES
CN(CC1=CN=C2C(=N1)C(=NC(=N2)N)N)C3=CC(=C(C=C3)C(=O)N[C@@H](CCC(=O)O)C(=O)O)OC
InChI
InChI=1S/C21H24N8O6/c1-29(9-10-8-24-18-16(25-10)17(22)27-21(23)28-18)11-3-4-12(14(7-11)35-2)19(32)26-13(20(33)34)5-6-15(30)31/h3-4,7-8,13H,5-6,9H2,1-2H3,(H,26,32)(H,30,31)(H,33,34)(H4,22,23,24,27,28)/t13-/m0/s1
InChIKey
ODMPDCRSDDHRHW-ZDUSSCGKSA-N
Compound name
(2S)-2-[[4-[(2,4-diaminopteridin-6-yl)methyl-methylamino]-2-methoxybenzoyl]amino]pentanedioic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

484.1819 Da
Monoisotopic Mass

-1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 485.18918 207.6
[M+Na]+ 507.17112 213.9
[M+NH4]+ 502.21572 207.2
[M+K]+ 523.14506 214.3
[M-H]- 483.17462 207.3
[M+Na-2H]- 505.15657 208.9
[M]+ 484.18135 207.3
[M]- 484.18245 207.3
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.