CID 457344

Chembl22543

Structural Information

Molecular Formula
C16H19N7O2
SMILES
CN(CC1=CN=C2C(=N1)C(=NC(=N2)N)N)C3=C(C=CC(=C3)OC)OC
InChI
InChI=1S/C16H19N7O2/c1-23(11-6-10(24-2)4-5-12(11)25-3)8-9-7-19-15-13(20-9)14(17)21-16(18)22-15/h4-7H,8H2,1-3H3,(H4,17,18,19,21,22)
InChIKey
ZDNUKWMRTYMTLS-UHFFFAOYSA-N
Compound name
6-[(2,5-dimethoxy-N-methylanilino)methyl]pteridine-2,4-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

341.16003 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 342.16731 182.7
[M+Na]+ 364.14925 191.7
[M-H]- 340.15275 186.5
[M+NH4]+ 359.19385 191.3
[M+K]+ 380.12319 187.4
[M+H-H2O]+ 324.15729 171.2
[M+HCOO]- 386.15823 203.3
[M+CH3COO]- 400.17388 224.3
[M+Na-2H]- 362.13470 188.6
[M]+ 341.15948 185.2
[M]- 341.16058 185.2
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

No patent data available for this compound.