CID 5273403

Chembl183225

Structural Information

Molecular Formula
C26H21N5
SMILES
CC1=CC=C(C=C1)CNC2=NC=NC3=C2N=C(C(=N3)C4=CC=CC=C4)C5=CC=CC=C5
InChI
InChI=1S/C26H21N5/c1-18-12-14-19(15-13-18)16-27-25-24-26(29-17-28-25)31-23(21-10-6-3-7-11-21)22(30-24)20-8-4-2-5-9-20/h2-15,17H,16H2,1H3,(H,27,28,29,31)
InChIKey
NMGWNMSJBMHWAH-UHFFFAOYSA-N
Compound name
N-[(4-methylphenyl)methyl]-6,7-diphenylpteridin-4-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

403.1797 Da
Monoisotopic Mass

5.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 404.18698 202.1
[M+Na]+ 426.16892 209.8
[M-H]- 402.17242 209.5
[M+NH4]+ 421.21352 206.7
[M+K]+ 442.14286 199.4
[M+H-H2O]+ 386.17696 186.9
[M+HCOO]- 448.17790 219.1
[M+CH3COO]- 462.19355 209.4
[M+Na-2H]- 424.15437 209.2
[M]+ 403.17915 200.5
[M]- 403.18025 200.5
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.