CID 3052625

Glycine, n-(p-(((2,4-diamino-7-pteridinyl)methyl)methylamino)benzoyl)-

Structural Information

Molecular Formula
C17H18N8O3
SMILES
CN(CC1=CN=C2C(=NC(=NC2=N1)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)8-10-6-20-13-14(18)23-17(19)24-15(13)22-10/h2-6H,7-8H2,1H3,(H,21,28)(H,26,27)(H4,18,19,22,23,24)
InChIKey
DXTDOCZEILIGEQ-UHFFFAOYSA-N
Compound name
2-[[4-[(2,4-diaminopteridin-7-yl)methyl-methylamino]benzoyl]amino]acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

382.15018 Da
Monoisotopic Mass

-0.3
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

No literature data available for this compound.

Patent stripe

No patent data available for this compound.