CID 135538702

9-(3,5-diohpentyl)-7-deazag

Structural Information

Molecular Formula
C11H16N4O3
SMILES
C1=CN(C2=C1C(=O)NC(=N2)N)CCC(CCO)O
InChI
InChI=1S/C11H16N4O3/c12-11-13-9-8(10(18)14-11)2-5-15(9)4-1-7(17)3-6-16/h2,5,7,16-17H,1,3-4,6H2,(H3,12,13,14,18)
InChIKey
CLIWPYVHACLIRG-UHFFFAOYSA-N
Compound name
2-amino-7-(3,5-dihydroxypentyl)-3H-pyrrolo[2,3-d]pyrimidin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

252.12224 Da
Monoisotopic Mass

-1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 253.12952 155.6
[M+Na]+ 275.11146 164.7
[M-H]- 251.11496 152.7
[M+NH4]+ 270.15606 169.3
[M+K]+ 291.08540 159.7
[M+H-H2O]+ 235.11950 148.1
[M+HCOO]- 297.12044 173.2
[M+CH3COO]- 311.13609 189.9
[M+Na-2H]- 273.09691 159.1
[M]+ 252.12169 155.6
[M]- 252.12279 155.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.