CID 3073473

149246-41-3

Structural Information

Molecular Formula
C20H26N10O3
SMILES
C1COCCN(CCOCCOCCN1C2=NC=NC3=C2NC=N3)C4=NC=NC5=C4NC=N5
InChI
InChI=1S/C20H26N10O3/c1-5-31-6-2-30(20-16-18(24-12-22-16)26-14-28-20)4-8-33-10-9-32-7-3-29(1)19-15-17(23-11-21-15)25-13-27-19/h11-14H,1-10H2,(H,21,23,25,27)(H,22,24,26,28)
InChIKey
UHPNDZGXGKKNEQ-UHFFFAOYSA-N
Compound name
7,13-bis(7H-purin-6-yl)-1,4,10-trioxa-7,13-diazacyclopentadecane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

454.21893 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 455.22621 191.9
[M+Na]+ 477.20815 198.2
[M-H]- 453.21165 190.1
[M+NH4]+ 472.25275 183.8
[M+K]+ 493.18209 194.3
[M+H-H2O]+ 437.21619 181.7
[M+HCOO]- 499.21713 192.2
[M+CH3COO]- 513.23278 194.9
[M+Na-2H]- 475.19360 189.6
[M]+ 454.21838 184.8
[M]- 454.21948 184.8
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

No patent data available for this compound.