CID 476040

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

Structural Information

Molecular Formula
C21H28N6
SMILES
CCCCC1=C(C=C(C=C1)NC2=NC3=C(C=C2)N=C(N=C3N)N)CCCC
InChI
InChI=1S/C21H28N6/c1-3-5-7-14-9-10-16(13-15(14)8-6-4-2)24-18-12-11-17-19(26-18)20(22)27-21(23)25-17/h9-13H,3-8H2,1-2H3,(H,24,26)(H4,22,23,25,27)
InChIKey
CRGVKEJZYXSQGN-UHFFFAOYSA-N
Compound name
6-N-(3,4-dibutylphenyl)pyrido[3,2-d]pyrimidine-2,4,6-triamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

364.23755 Da
Monoisotopic Mass

5.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 365.24483 193.3
[M+Na]+ 387.22677 200.5
[M-H]- 363.23027 196.0
[M+NH4]+ 382.27137 202.0
[M+K]+ 403.20071 192.8
[M+H-H2O]+ 347.23481 182.1
[M+HCOO]- 409.23575 212.8
[M+CH3COO]- 423.25140 228.5
[M+Na-2H]- 385.21222 197.1
[M]+ 364.23700 193.2
[M]- 364.23810 193.2
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.