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

1247
Patents

417.18524 Da
Monoisotopic Mass

6.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 418.19252 199.9
[M+Na]+ 440.17446 208.3
[M-H]- 416.17796 207.0
[M+NH4]+ 435.21906 209.1
[M+K]+ 456.14840 199.6
[M+H-H2O]+ 400.18250 188.3
[M+HCOO]- 462.18344 215.1
[M+CH3COO]- 476.19909 208.2
[M+Na-2H]- 438.15991 196.7
[M]+ 417.18469 198.7
[M]- 417.18579 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