CID 3052038

Glycine, n-(p-(((2,4-diamino-6-pteridinyl)methyl)methylamino)benzoyl)-

Structural Information

Molecular Formula
C17H18N8O3
SMILES
CN(CC1=CN=C2C(=N1)C(=NC(=N2)N)N)C3=CC=C(C=C3)C(=O)NCC(=O)O
InChI
InChI=1S/C17H18N8O3/c1-25(11-4-2-9(3-5-11)16(28)21-7-12(26)27)8-10-6-20-15-13(22-10)14(18)23-17(19)24-15/h2-6H,7-8H2,1H3,(H,21,28)(H,26,27)(H4,18,19,20,23,24)
InChIKey
UXVCSCQMPWYPNL-UHFFFAOYSA-N
Compound name
2-[[4-[(2,4-diaminopteridin-6-yl)methyl-methylamino]benzoyl]amino]acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

1
Patents

382.15018 Da
Monoisotopic Mass

-1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 383.15746 185.8
[M+Na]+ 405.13940 195.3
[M+NH4]+ 400.18400 188.6
[M+K]+ 421.11334 192.6
[M-H]- 381.14290 188.0
[M+Na-2H]- 403.12485 190.7
[M]+ 382.14963 187.0
[M]- 382.15073 187.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe