CID 314662

2,4-pteridinediamine, 6-(phenoxymethyl)-

Structural Information

Molecular Formula
C13H12N6O
SMILES
C1=CC=C(C=C1)OCC2=CN=C3C(=N2)C(=NC(=N3)N)N
InChI
InChI=1S/C13H12N6O/c14-11-10-12(19-13(15)18-11)16-6-8(17-10)7-20-9-4-2-1-3-5-9/h1-6H,7H2,(H4,14,15,16,18,19)
InChIKey
AAVNOHSYACQWOK-UHFFFAOYSA-N
Compound name
6-(phenoxymethyl)pteridine-2,4-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

4
References

3
Patents

268.10727 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 269.11455 161.1
[M+Na]+ 291.09649 170.7
[M-H]- 267.09999 163.1
[M+NH4]+ 286.14109 172.0
[M+K]+ 307.07043 164.8
[M+H-H2O]+ 251.10453 150.4
[M+HCOO]- 313.10547 181.1
[M+CH3COO]- 327.12112 171.6
[M+Na-2H]- 289.08194 170.2
[M]+ 268.10672 159.9
[M]- 268.10782 159.9
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.