CID 490461

Chembl335727

Structural Information

Molecular Formula
C20H17N5O3
SMILES
C1=CC=C2C=C(C=CC2=C1)C3=CN4C(=O)C5=C(N=C4N3)N(C=N5)COCCO
InChI
InChI=1S/C20H17N5O3/c26-7-8-28-12-24-11-21-17-18(24)23-20-22-16(10-25(20)19(17)27)15-6-5-13-3-1-2-4-14(13)9-15/h1-6,9-11,26H,7-8,12H2,(H,22,23)
InChIKey
SPZKYQJTVQXDOG-UHFFFAOYSA-N
Compound name
3-(2-hydroxyethoxymethyl)-6-naphthalen-2-yl-5H-imidazo[1,2-a]purin-9-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

375.13315 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 376.14043 187.0
[M+Na]+ 398.12237 199.6
[M-H]- 374.12587 189.9
[M+NH4]+ 393.16697 197.7
[M+K]+ 414.09631 191.5
[M+H-H2O]+ 358.13041 176.9
[M+HCOO]- 420.13135 203.5
[M+CH3COO]- 434.14700 196.7
[M+Na-2H]- 396.10782 191.5
[M]+ 375.13260 193.0
[M]- 375.13370 193.0
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.