CID 135398664

Coelenterazine h

Structural Information

Molecular Formula
C26H21N3O2
SMILES
C1=CC=C(C=C1)CC2=C(N3C=C(N=C(C3=N2)CC4=CC=CC=C4)C5=CC=C(C=C5)O)O
InChI
InChI=1S/C26H21N3O2/c30-21-13-11-20(12-14-21)24-17-29-25(22(27-24)15-18-7-3-1-4-8-18)28-23(26(29)31)16-19-9-5-2-6-10-19/h1-14,17,30-31H,15-16H2
InChIKey
MGTUVUVRFJVHAL-UHFFFAOYSA-N
Compound name
2,8-dibenzyl-6-(4-hydroxyphenyl)imidazo[1,2-a]pyrazin-3-ol
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

1
References

3087
Patents

407.1634 Da
Monoisotopic Mass

5.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 408.17068 202.6
[M+Na]+ 430.15262 221.8
[M+NH4]+ 425.19722 210.1
[M+K]+ 446.12656 213.2
[M-H]- 406.15612 210.3
[M+Na-2H]- 428.13807 214.5
[M]+ 407.16285 207.8
[M]- 407.16395 207.8
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