CID 456302

Chembl287511

Structural Information

Molecular Formula
C16H18N6O2
SMILES
COC1=CC(=C(C=C1)OC)CCC2=CN=C3C(=N2)C(=NC(=N3)N)N
InChI
InChI=1S/C16H18N6O2/c1-23-11-5-6-12(24-2)9(7-11)3-4-10-8-19-15-13(20-10)14(17)21-16(18)22-15/h5-8H,3-4H2,1-2H3,(H4,17,18,19,21,22)
InChIKey
VFVUSRHPUOYRCK-UHFFFAOYSA-N
Compound name
6-[2-(2,5-dimethoxyphenyl)ethyl]pteridine-2,4-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

326.1491 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 327.15638 180.0
[M+Na]+ 349.13832 189.9
[M-H]- 325.14182 182.3
[M+NH4]+ 344.18292 189.0
[M+K]+ 365.11226 184.0
[M+H-H2O]+ 309.14636 168.8
[M+HCOO]- 371.14730 199.0
[M+CH3COO]- 385.16295 189.6
[M+Na-2H]- 347.12377 185.8
[M]+ 326.14855 182.0
[M]- 326.14965 182.0
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.