CID 135398696

Excited coelenteramide h monoanion

Structural Information

Molecular Formula
C25H21N3O2
SMILES
C1=CC=C(C=C1)CC2=NC(=CN=C2NC(=O)CC3=CC=CC=C3)C4=CC=C(C=C4)O
InChI
InChI=1S/C25H21N3O2/c29-21-13-11-20(12-14-21)23-17-26-25(22(27-23)15-18-7-3-1-4-8-18)28-24(30)16-19-9-5-2-6-10-19/h1-14,17,29H,15-16H2,(H,26,28,30)
InChIKey
GLNOCHFLWSMEDS-UHFFFAOYSA-N
Compound name
N-[3-benzyl-5-(4-hydroxyphenyl)pyrazin-2-yl]-2-phenylacetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

21
Patents

395.1634 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 396.17068 196.7
[M+Na]+ 418.15262 201.9
[M-H]- 394.15612 204.8
[M+NH4]+ 413.19722 202.6
[M+K]+ 434.12656 194.1
[M+H-H2O]+ 378.16066 183.8
[M+HCOO]- 440.16160 215.7
[M+CH3COO]- 454.17725 204.5
[M+Na-2H]- 416.13807 200.7
[M]+ 395.16285 194.7
[M]- 395.16395 194.7
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