CID 9632326

300700-54-3

Structural Information

Molecular Formula
C23H24N6O5
SMILES
CN1C2=C(C(=O)NC1=O)N(C(=N2)N/N=C/C3=CC=C(C=C3)OC)CC(COC4=CC=CC=C4)O
InChI
InChI=1S/C23H24N6O5/c1-28-20-19(21(31)26-23(28)32)29(13-16(30)14-34-18-6-4-3-5-7-18)22(25-20)27-24-12-15-8-10-17(33-2)11-9-15/h3-12,16,30H,13-14H2,1-2H3,(H,25,27)(H,26,31,32)/b24-12+
InChIKey
AAIRMPZFFMRCRI-WYMPLXKRSA-N
Compound name
7-(2-hydroxy-3-phenoxypropyl)-8-[(2E)-2-[(4-methoxyphenyl)methylidene]hydrazinyl]-3-methylpurine-2,6-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

464.18082 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 465.18810 208.1
[M+Na]+ 487.17004 216.3
[M-H]- 463.17354 213.9
[M+NH4]+ 482.21464 212.2
[M+K]+ 503.14398 210.1
[M+H-H2O]+ 447.17808 195.9
[M+HCOO]- 509.17902 227.8
[M+CH3COO]- 523.19467 237.2
[M+Na-2H]- 485.15549 211.3
[M]+ 464.18027 213.7
[M]- 464.18137 213.7
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.