CID 379363

Nsc663909

Structural Information

Molecular Formula
C9H12N6O2
SMILES
C1=NC(=C2C(=N1)N(C=N2)CC(=O)NCCO)N
InChI
InChI=1S/C9H12N6O2/c10-8-7-9(13-4-12-8)15(5-14-7)3-6(17)11-1-2-16/h4-5,16H,1-3H2,(H,11,17)(H2,10,12,13)
InChIKey
IQAMECPPDCVETG-UHFFFAOYSA-N
Compound name
2-(6-aminopurin-9-yl)-N-(2-hydroxyethyl)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

236.10217 Da
Monoisotopic Mass

-1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 237.10945 149.7
[M+Na]+ 259.09139 159.0
[M-H]- 235.09489 148.3
[M+NH4]+ 254.13599 163.6
[M+K]+ 275.06533 155.4
[M+H-H2O]+ 219.09943 140.8
[M+HCOO]- 281.10037 170.7
[M+CH3COO]- 295.11602 192.5
[M+Na-2H]- 257.07684 156.6
[M]+ 236.10162 150.6
[M]- 236.10272 150.6
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.