CID 135439140

Coelenterazine hcp

Structural Information

Molecular Formula
C25H25N3O2
SMILES
C1CCC(C1)CC2=NC(=CN3C2=NC(=C3O)CC4=CC=CC=C4)C5=CC=C(C=C5)O
InChI
InChI=1S/C25H25N3O2/c29-20-12-10-19(11-13-20)23-16-28-24(21(26-23)14-17-8-4-5-9-17)27-22(25(28)30)15-18-6-2-1-3-7-18/h1-3,6-7,10-13,16-17,29-30H,4-5,8-9,14-15H2
InChIKey
UCSBOFLEOACXIR-UHFFFAOYSA-N
Compound name
2-benzyl-8-(cyclopentylmethyl)-6-(4-hydroxyphenyl)imidazo[1,2-a]pyrazin-3-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

970
Patents

399.19467 Da
Monoisotopic Mass

6.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 400.20195 196.1
[M+Na]+ 422.18389 203.6
[M-H]- 398.18739 204.2
[M+NH4]+ 417.22849 205.8
[M+K]+ 438.15783 195.4
[M+H-H2O]+ 382.19193 185.3
[M+HCOO]- 444.19287 212.4
[M+CH3COO]- 458.20852 204.6
[M+Na-2H]- 420.16934 194.3
[M]+ 399.19412 195.3
[M]- 399.19522 195.3
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