CID 135445694

Coelenterazine

Structural Information

Molecular Formula
C26H21N3O3
SMILES
C1=CC=C(C=C1)CC2=NC(=CN3C2=NC(=C3O)CC4=CC=C(C=C4)O)C5=CC=C(C=C5)O
InChI
InChI=1S/C26H21N3O3/c30-20-10-6-18(7-11-20)15-23-26(32)29-16-24(19-8-12-21(31)13-9-19)27-22(25(29)28-23)14-17-4-2-1-3-5-17/h1-13,16,30-32H,14-15H2
InChIKey
LNCOEGVEEQDKGX-UHFFFAOYSA-N
Compound name
8-benzyl-6-(4-hydroxyphenyl)-2-[(4-hydroxyphenyl)methyl]imidazo[1,2-a]pyrazin-3-ol
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

235
References

9670
Patents

423.1583 Da
Monoisotopic Mass

5.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 424.16558 203.2
[M+Na]+ 446.14752 212.4
[M-H]- 422.15102 210.5
[M+NH4]+ 441.19212 209.3
[M+K]+ 462.12146 203.3
[M+H-H2O]+ 406.15556 191.4
[M+HCOO]- 468.15650 219.3
[M+CH3COO]- 482.17215 211.3
[M+Na-2H]- 444.13297 205.0
[M]+ 423.15775 204.3
[M]- 423.15885 204.3
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