CID 135435075

120386-07-4

Structural Information

Molecular Formula
C10H11N5O2
SMILES
C1=C(C2=C(N1)N(C=NC2=N)COCCO)C#N
InChI
InChI=1S/C10H11N5O2/c11-3-7-4-13-10-8(7)9(12)14-5-15(10)6-17-2-1-16/h4-5,12-13,16H,1-2,6H2
InChIKey
XDEKLCCLBMTSEI-UHFFFAOYSA-N
Compound name
1-(2-hydroxyethoxymethyl)-4-imino-7H-pyrrolo[2,3-d]pyrimidine-5-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

233.09128 Da
Monoisotopic Mass

-0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 234.09856 149.3
[M+Na]+ 256.08050 160.5
[M-H]- 232.08400 146.9
[M+NH4]+ 251.12510 162.6
[M+K]+ 272.05444 155.3
[M+H-H2O]+ 216.08854 134.4
[M+HCOO]- 278.08948 166.2
[M+CH3COO]- 292.10513 199.4
[M+Na-2H]- 254.06595 154.9
[M]+ 233.09073 145.1
[M]- 233.09183 145.1
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.