CID 379364

Nsc663910

Structural Information

Molecular Formula
C10H14N6O2
SMILES
C1=NC(=C2C(=N1)N(C=N2)CC(=O)NCCCO)N
InChI
InChI=1S/C10H14N6O2/c11-9-8-10(14-5-13-9)16(6-15-8)4-7(18)12-2-1-3-17/h5-6,17H,1-4H2,(H,12,18)(H2,11,13,14)
InChIKey
QDWYXXHYGQGPSG-UHFFFAOYSA-N
Compound name
2-(6-aminopurin-9-yl)-N-(3-hydroxypropyl)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

250.11783 Da
Monoisotopic Mass

-1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 251.12511 154.0
[M+Na]+ 273.10705 162.9
[M-H]- 249.11055 152.4
[M+NH4]+ 268.15165 167.4
[M+K]+ 289.08099 159.1
[M+H-H2O]+ 233.11509 145.0
[M+HCOO]- 295.11603 174.7
[M+CH3COO]- 309.13168 195.5
[M+Na-2H]- 271.09250 160.5
[M]+ 250.11728 155.3
[M]- 250.11838 155.3
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.