CID 476045

2,4,6-triamino-6-phenyl-methyl-(2',3'-dibutyl)-pyrido[3,2-d]pyrimidine

Structural Information

Molecular Formula
C22H30N6
SMILES
CCCCC1=C(C(=CC=C1)N(C)C2=NC3=C(C=C2)N=C(N=C3N)N)CCCC
InChI
InChI=1S/C22H30N6/c1-4-6-9-15-10-8-12-18(16(15)11-7-5-2)28(3)19-14-13-17-20(26-19)21(23)27-22(24)25-17/h8,10,12-14H,4-7,9,11H2,1-3H3,(H4,23,24,25,27)
InChIKey
KTLCRLJBJBIWNN-UHFFFAOYSA-N
Compound name
6-N-(2,3-dibutylphenyl)-6-N-methylpyrido[3,2-d]pyrimidine-2,4,6-triamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

378.2532 Da
Monoisotopic Mass

5.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 379.26048 198.8
[M+Na]+ 401.24242 205.5
[M-H]- 377.24592 202.7
[M+NH4]+ 396.28702 207.4
[M+K]+ 417.21636 199.0
[M+H-H2O]+ 361.25046 187.0
[M+HCOO]- 423.25140 218.3
[M+CH3COO]- 437.26705 234.6
[M+Na-2H]- 399.22787 201.2
[M]+ 378.25265 200.1
[M]- 378.25375 200.1
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

No patent data available for this compound.