CID 3077740

5h-1,2,4-triazolo(3,4-i)purin-5-one, 6,9-dihydro-3-(4-(dimethylamino)phenyl)-9-methyl-6-propyl-

Structural Information

Molecular Formula
C18H21N7O
SMILES
CCCN1C2=C(C3=NN=C(N3C1=O)C4=CC=C(C=C4)N(C)C)N(C=N2)C
InChI
InChI=1S/C18H21N7O/c1-5-10-24-16-14(23(4)11-19-16)17-21-20-15(25(17)18(24)26)12-6-8-13(9-7-12)22(2)3/h6-9,11H,5,10H2,1-4H3
InChIKey
SQNUOVPGJDNRLC-UHFFFAOYSA-N
Compound name
3-[4-(dimethylamino)phenyl]-9-methyl-6-propyl-[1,2,4]triazolo[3,4-f]purin-5-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

351.18076 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 352.18804 182.8
[M+Na]+ 374.16998 198.8
[M+NH4]+ 369.21458 188.6
[M+K]+ 390.14392 195.8
[M-H]- 350.17348 185.1
[M+Na-2H]- 372.15543 189.4
[M]+ 351.18021 185.8
[M]- 351.18131 185.8
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

patents stripe