CID 135445692

Coelenterazine fcp

Structural Information

Molecular Formula
C25H24FN3O2
SMILES
C1CCC(C1)CC2=NC(=CN3C2=NC(=C3O)CC4=CC=C(C=C4)F)C5=CC=C(C=C5)O
InChI
InChI=1S/C25H24FN3O2/c26-19-9-5-17(6-10-19)14-22-25(31)29-15-23(18-7-11-20(30)12-8-18)27-21(24(29)28-22)13-16-3-1-2-4-16/h5-12,15-16,30-31H,1-4,13-14H2
InChIKey
WJOLQGAMGUBOFS-UHFFFAOYSA-N
Compound name
8-(cyclopentylmethyl)-2-[(4-fluorophenyl)methyl]-6-(4-hydroxyphenyl)imidazo[1,2-a]pyrazin-3-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

888
Patents

417.18524 Da
Monoisotopic Mass

6.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 418.192516 199.9
[M+Na]+ 440.174458 208.3
[M-H]- 416.177964 207.0
[M+NH4]+ 435.219063 209.1
[M+K]+ 456.148398 199.6
[M+H-H2O]+ 400.182500 188.3
[M+HCOO]- 462.183441 215.1
[M+CH3COO]- 476.199091 208.2
[M+Na-2H]- 438.159906 196.7
[M]+ 417.18469142 198.7
[M]- 417.18578858 198.7
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

patents stripe