CID 456508

6-phenethylpteridine-2,4-diamine

Structural Information

Molecular Formula
C14H14N6
SMILES
C1=CC=C(C=C1)CCC2=CN=C3C(=N2)C(=NC(=N3)N)N
InChI
InChI=1S/C14H14N6/c15-12-11-13(20-14(16)19-12)17-8-10(18-11)7-6-9-4-2-1-3-5-9/h1-5,8H,6-7H2,(H4,15,16,17,19,20)
InChIKey
XVBKYCCHISEGOJ-UHFFFAOYSA-N
Compound name
6-(2-phenylethyl)pteridine-2,4-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

266.128 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 267.13528 162.8
[M+Na]+ 289.11722 172.2
[M-H]- 265.12072 164.6
[M+NH4]+ 284.16182 173.9
[M+K]+ 305.09116 165.4
[M+H-H2O]+ 249.12526 152.1
[M+HCOO]- 311.12620 182.3
[M+CH3COO]- 325.14185 173.0
[M+Na-2H]- 287.10267 171.3
[M]+ 266.12745 160.6
[M]- 266.12855 160.6
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.