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

literature stripe

Patent stripe

patents stripe