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 187.8
[M+Na]+ 405.13940 193.9
[M-H]- 381.14290 190.3
[M+NH4]+ 400.18400 193.1
[M+K]+ 421.11334 189.9
[M+H-H2O]+ 365.14744 176.6
[M+HCOO]- 427.14838 206.4
[M+CH3COO]- 441.16403 231.6
[M+Na-2H]- 403.12485 192.9
[M]+ 382.14963 186.8
[M]- 382.15073 186.8
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.