CID 462092

6-[2-(2-thienyl)ethyl]pteridine-2,4-diamine

Structural Information

Molecular Formula
C12H12N6S
SMILES
C1=CSC(=C1)CCC2=CN=C3C(=N2)C(=NC(=N3)N)N
InChI
InChI=1S/C12H12N6S/c13-10-9-11(18-12(14)17-10)15-6-7(16-9)3-4-8-2-1-5-19-8/h1-2,5-6H,3-4H2,(H4,13,14,15,17,18)
InChIKey
LUKAVBLYZWGIJI-UHFFFAOYSA-N
Compound name
6-(2-thiophen-2-ylethyl)pteridine-2,4-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

272.0844 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 273.09168 157.2
[M+Na]+ 295.07362 169.3
[M-H]- 271.07712 160.3
[M+NH4]+ 290.11822 171.2
[M+K]+ 311.04756 162.4
[M+H-H2O]+ 255.08166 148.6
[M+HCOO]- 317.08260 175.1
[M+CH3COO]- 331.09825 168.9
[M+Na-2H]- 293.05907 162.2
[M]+ 272.08385 159.2
[M]- 272.08495 159.2
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.