CID 3064964

(1,2,4)triazino(3,4-f)purine-6,8(7h,9h)-dione, 1,4-dihydro-1,7-bis(morpholinomethyl)-9-methyl-3-phenyl-

Structural Information

Molecular Formula
C24H30N8O4
SMILES
CN1C2=C(C(=O)N(C1=O)CN3CCOCC3)N4CC(=NN(C4=N2)CN5CCOCC5)C6=CC=CC=C6
InChI
InChI=1S/C24H30N8O4/c1-27-21-20(22(33)31(24(27)34)16-28-7-11-35-12-8-28)30-15-19(18-5-3-2-4-6-18)26-32(23(30)25-21)17-29-9-13-36-14-10-29/h2-6H,7-17H2,1H3
InChIKey
KKUPVBJYYYNHOY-UHFFFAOYSA-N
Compound name
9-methyl-1,7-bis(morpholin-4-ylmethyl)-3-phenyl-4H-purino[8,7-c][1,2,4]triazine-6,8-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

494.239 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 495.24628 226.1
[M+Na]+ 517.22822 233.2
[M-H]- 493.23172 230.4
[M+NH4]+ 512.27282 221.9
[M+K]+ 533.20216 226.3
[M+H-H2O]+ 477.23626 209.6
[M+HCOO]- 539.23720 228.2
[M+CH3COO]- 553.25285 229.4
[M+Na-2H]- 515.21367 222.5
[M]+ 494.23845 223.9
[M]- 494.23955 223.9
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.