CID 379365

Nsc663911

Structural Information

Molecular Formula
C11H16N6O2
SMILES
C1=NC(=C2C(=N1)N(C=N2)CC(=O)NCCCCO)N
InChI
InChI=1S/C11H16N6O2/c12-10-9-11(15-6-14-10)17(7-16-9)5-8(19)13-3-1-2-4-18/h6-7,18H,1-5H2,(H,13,19)(H2,12,14,15)
InChIKey
DFUYYXWDFHIVQA-UHFFFAOYSA-N
Compound name
2-(6-aminopurin-9-yl)-N-(4-hydroxybutyl)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

264.13348 Da
Monoisotopic Mass

-0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 265.14076 158.3
[M+Na]+ 287.12270 166.8
[M-H]- 263.12620 156.6
[M+NH4]+ 282.16730 171.1
[M+K]+ 303.09664 162.7
[M+H-H2O]+ 247.13074 149.1
[M+HCOO]- 309.13168 178.6
[M+CH3COO]- 323.14733 198.4
[M+Na-2H]- 285.10815 164.3
[M]+ 264.13293 160.0
[M]- 264.13403 160.0
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.