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

2544
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 200.0
[M+Na]+ 430.15262 209.2
[M-H]- 406.15612 208.1
[M+NH4]+ 425.19722 207.3
[M+K]+ 446.12656 199.8
[M+H-H2O]+ 390.16066 187.8
[M+HCOO]- 452.16160 217.5
[M+CH3COO]- 466.17725 208.6
[M+Na-2H]- 428.13807 202.7
[M]+ 407.16285 201.0
[M]- 407.16395 201.0
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.