CID 513853

Chembl359314

Structural Information

Molecular Formula
C17H17N7O4
SMILES
C1=CC(=CC=C1C2=CN3C(=O)C4=C(N=C3N2)N(C=N4)COCCO)NC(=O)N
InChI
InChI=1S/C17H17N7O4/c18-16(27)20-11-3-1-10(2-4-11)12-7-24-15(26)13-14(22-17(24)21-12)23(8-19-13)9-28-6-5-25/h1-4,7-8,25H,5-6,9H2,(H,21,22)(H3,18,20,27)
InChIKey
AHYDBAYLKZFQLD-UHFFFAOYSA-N
Compound name
[4-[3-(2-hydroxyethoxymethyl)-9-oxo-5H-imidazo[1,2-a]purin-6-yl]phenyl]urea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

383.13422 Da
Monoisotopic Mass

-1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 384.14150 183.5
[M+Na]+ 406.12344 194.0
[M-H]- 382.12694 185.7
[M+NH4]+ 401.16804 192.2
[M+K]+ 422.09738 188.0
[M+H-H2O]+ 366.13148 174.1
[M+HCOO]- 428.13242 202.6
[M+CH3COO]- 442.14807 192.8
[M+Na-2H]- 404.10889 187.8
[M]+ 383.13367 188.0
[M]- 383.13477 188.0
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.