CID 11820798

120386-09-6

Structural Information

Molecular Formula
C10H14N6O3
SMILES
C1=C(C2=C(N=CN=C2N1COCCO)N)/C(=N/O)/N
InChI
InChI=1S/C10H14N6O3/c11-8(15-18)6-3-16(5-19-2-1-17)10-7(6)9(12)13-4-14-10/h3-4,17-18H,1-2,5H2,(H2,11,15)(H2,12,13,14)
InChIKey
FGOIGJWZOGAZHP-UHFFFAOYSA-N
Compound name
4-amino-N'-hydroxy-7-(2-hydroxyethoxymethyl)pyrrolo[2,3-d]pyrimidine-5-carboximidamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

266.11273 Da
Monoisotopic Mass

-1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 267.12001 154.9
[M+Na]+ 289.10195 163.5
[M-H]- 265.10545 154.7
[M+NH4]+ 284.14655 168.6
[M+K]+ 305.07589 160.4
[M+H-H2O]+ 249.10999 146.4
[M+HCOO]- 311.11093 177.5
[M+CH3COO]- 325.12658 201.0
[M+Na-2H]- 287.08740 160.4
[M]+ 266.11218 155.8
[M]- 266.11328 155.8
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.