CID 476042

Chembl139188

Structural Information

Molecular Formula
C13H12N6
SMILES
C1=CC=C(C=C1)NC2=NC3=C(C=C2)N=C(N=C3N)N
InChI
InChI=1S/C13H12N6/c14-12-11-9(17-13(15)19-12)6-7-10(18-11)16-8-4-2-1-3-5-8/h1-7H,(H,16,18)(H4,14,15,17,19)
InChIKey
LKOOXGFMGXIJFK-UHFFFAOYSA-N
Compound name
6-N-phenylpyrido[3,2-d]pyrimidine-2,4,6-triamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

0
Patents

252.11235 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 253.11963 155.3
[M+Na]+ 275.10157 164.4
[M-H]- 251.10507 158.8
[M+NH4]+ 270.14617 168.1
[M+K]+ 291.07551 158.2
[M+H-H2O]+ 235.10961 145.4
[M+HCOO]- 297.11055 177.7
[M+CH3COO]- 311.12620 166.4
[M+Na-2H]- 273.08702 165.1
[M]+ 252.11180 151.8
[M]- 252.11290 151.8
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

No patent data available for this compound.