CID 3056066

4-pteridinamine, 7-phenyl-

Structural Information

Molecular Formula
C12H9N5
SMILES
C1=CC=C(C=C1)C2=CN=C3C(=NC=NC3=N2)N
InChI
InChI=1S/C12H9N5/c13-11-10-12(16-7-15-11)17-9(6-14-10)8-4-2-1-3-5-8/h1-7H,(H2,13,15,16,17)
InChIKey
YZCLSEIRDPNKJP-UHFFFAOYSA-N
Compound name
7-phenylpteridin-4-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

3
Patents

223.0858 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 224.09308 149.9
[M+Na]+ 246.07502 160.1
[M-H]- 222.07852 152.0
[M+NH4]+ 241.11962 163.0
[M+K]+ 262.04896 154.0
[M+H-H2O]+ 206.08306 139.4
[M+HCOO]- 268.08400 169.6
[M+CH3COO]- 282.09965 161.4
[M+Na-2H]- 244.06047 160.5
[M]+ 223.08525 148.1
[M]- 223.08635 148.1
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.