CID 457365

Pt304

Structural Information

Molecular Formula
C20H14Cl4N6
SMILES
C1=CC(=C(C=C1CC2=C(N=C3C(=N2)C(=NC(=N3)N)N)CC4=CC(=C(C=C4)Cl)Cl)Cl)Cl
InChI
InChI=1S/C20H14Cl4N6/c21-11-3-1-9(5-13(11)23)7-15-16(8-10-2-4-12(22)14(24)6-10)28-19-17(27-15)18(25)29-20(26)30-19/h1-6H,7-8H2,(H4,25,26,28,29,30)
InChIKey
BQHNVQLDZHGCDH-UHFFFAOYSA-N
Compound name
6,7-bis[(3,4-dichlorophenyl)methyl]pteridine-2,4-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

0
Patents

478.00342 Da
Monoisotopic Mass

5.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 479.01070 205.3
[M+Na]+ 500.99264 216.8
[M-H]- 476.99614 206.2
[M+NH4]+ 496.03724 209.8
[M+K]+ 516.96658 207.8
[M+H-H2O]+ 461.00068 194.0
[M+HCOO]- 523.00162 202.8
[M+CH3COO]- 537.01727 211.1
[M+Na-2H]- 498.97809 205.2
[M]+ 478.00287 207.7
[M]- 478.00397 207.7
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.