CID 448487

Coelenteramide

Structural Information

Molecular Formula
C25H21N3O3
SMILES
C1=CC=C(C=C1)CC2=NC(=CN=C2NC(=O)CC3=CC=C(C=C3)O)C4=CC=C(C=C4)O
InChI
InChI=1S/C25H21N3O3/c29-20-10-6-18(7-11-20)15-24(31)28-25-22(14-17-4-2-1-3-5-17)27-23(16-26-25)19-8-12-21(30)13-9-19/h1-13,16,29-30H,14-15H2,(H,26,28,31)
InChIKey
CJIIERPDFZUYPI-UHFFFAOYSA-N
Compound name
N-[3-benzyl-5-(4-hydroxyphenyl)pyrazin-2-yl]-2-(4-hydroxyphenyl)acetamide
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

46
References

1332
Patents

411.1583 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 412.16558 199.9
[M+Na]+ 434.14752 205.3
[M-H]- 410.15102 207.2
[M+NH4]+ 429.19212 204.7
[M+K]+ 450.12146 197.8
[M+H-H2O]+ 394.15556 187.4
[M+HCOO]- 456.15650 217.6
[M+CH3COO]- 470.17215 207.2
[M+Na-2H]- 432.13297 202.9
[M]+ 411.15775 198.1
[M]- 411.15885 198.1
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