CID 137285375

Hydrofurimazine

Structural Information

Molecular Formula
C24H19N3O3
SMILES
C1=CC=C(C=C1)CC2=NC(=CN3C2=NC(=C3O)CC4=CC=CO4)C5=CC(=CC=C5)O
InChI
InChI=1S/C24H19N3O3/c28-18-9-4-8-17(13-18)22-15-27-23(20(25-22)12-16-6-2-1-3-7-16)26-21(24(27)29)14-19-10-5-11-30-19/h1-11,13,15,28-29H,12,14H2
InChIKey
JHMNSROVQHYTQL-UHFFFAOYSA-N
Compound name
8-benzyl-2-(furan-2-ylmethyl)-6-(3-hydroxyphenyl)imidazo[1,2-a]pyrazin-3-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

67
Patents

397.14264 Da
Monoisotopic Mass

5.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 398.14992 192.9
[M+Na]+ 420.13186 202.9
[M-H]- 396.13536 202.7
[M+NH4]+ 415.17646 201.5
[M+K]+ 436.10580 196.3
[M+H-H2O]+ 380.13990 182.7
[M+HCOO]- 442.14084 211.6
[M+CH3COO]- 456.15649 203.0
[M+Na-2H]- 418.11731 193.9
[M]+ 397.14209 196.6
[M]- 397.14319 196.6
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

patents stripe