CID 199840

5096-26-4

Structural Information

Molecular Formula
C16H27N5O3
SMILES
CCCN(CCC)CC(CN1C=NC2=C1C(=O)N(C(=O)N2C)C)O
InChI
InChI=1S/C16H27N5O3/c1-5-7-20(8-6-2)9-12(22)10-21-11-17-14-13(21)15(23)19(4)16(24)18(14)3/h11-12,22H,5-10H2,1-4H3
InChIKey
LJURWBQQJWAVFJ-UHFFFAOYSA-N
Compound name
7-[3-(dipropylamino)-2-hydroxypropyl]-1,3-dimethylpurine-2,6-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

337.2114 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 338.21868 181.5
[M+Na]+ 360.20062 191.4
[M-H]- 336.20412 181.9
[M+NH4]+ 355.24522 193.3
[M+K]+ 376.17456 187.8
[M+H-H2O]+ 320.20866 172.4
[M+HCOO]- 382.20960 200.3
[M+CH3COO]- 396.22525 217.7
[M+Na-2H]- 358.18607 182.2
[M]+ 337.21085 189.7
[M]- 337.21195 189.7
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.