CID 462091

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

Structural Information

Molecular Formula
C13H13N7
SMILES
C1=CN=CC=C1CCC2=CN=C3C(=N2)C(=NC(=N3)N)N
InChI
InChI=1S/C13H13N7/c14-11-10-12(20-13(15)19-11)17-7-9(18-10)2-1-8-3-5-16-6-4-8/h3-7H,1-2H2,(H4,14,15,17,19,20)
InChIKey
ZSQMQTYDUDRUMN-UHFFFAOYSA-N
Compound name
6-(2-pyridin-4-ylethyl)pteridine-2,4-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

267.12323 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 268.13051 163.7
[M+Na]+ 290.11245 173.6
[M-H]- 266.11595 164.3
[M+NH4]+ 285.15705 173.3
[M+K]+ 306.08639 166.5
[M+H-H2O]+ 250.12049 152.5
[M+HCOO]- 312.12143 182.1
[M+CH3COO]- 326.13708 173.5
[M+Na-2H]- 288.09790 172.8
[M]+ 267.12268 161.7
[M]- 267.12378 161.7
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.