CID 3064963

106087-42-7

Structural Information

Molecular Formula
C20H30N8O4
SMILES
CC1C(=NN(C2=NC3=C(N12)C(=O)N(C(=O)N3C)CN4CCOCC4)CN5CCOCC5)C
InChI
InChI=1S/C20H30N8O4/c1-14-15(2)28-16-17(21-19(28)27(22-14)13-25-6-10-32-11-7-25)23(3)20(30)26(18(16)29)12-24-4-8-31-9-5-24/h15H,4-13H2,1-3H3
InChIKey
TWEJLHMBQRPOSF-UHFFFAOYSA-N
Compound name
3,4,9-trimethyl-1,7-bis(morpholin-4-ylmethyl)-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

446.239 Da
Monoisotopic Mass

-0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 447.24628 220.2
[M+Na]+ 469.22822 229.1
[M-H]- 445.23172 222.2
[M+NH4]+ 464.27282 219.1
[M+K]+ 485.20216 223.3
[M+H-H2O]+ 429.23626 205.9
[M+HCOO]- 491.23720 222.7
[M+CH3COO]- 505.25285 224.7
[M+Na-2H]- 467.21367 215.7
[M]+ 446.23845 220.2
[M]- 446.23955 220.2
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.