CID 3063791

Brn 0277224

Structural Information

Molecular Formula
C18H13NO3
SMILES
C1=CC=C2C(=C1)C3=CC=CC=C3N2CC4=CC(=O)C(=CO4)O
InChI
InChI=1S/C18H13NO3/c20-17-9-12(22-11-18(17)21)10-19-15-7-3-1-5-13(15)14-6-2-4-8-16(14)19/h1-9,11,21H,10H2
InChIKey
BNJYHFMKCKTBQA-UHFFFAOYSA-N
Compound name
2-(carbazol-9-ylmethyl)-5-hydroxypyran-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

291.08954 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 292.096816 163.9
[M+Na]+ 314.078758 175.8
[M-H]- 290.082264 171.9
[M+NH4]+ 309.123363 180.2
[M+K]+ 330.052698 170.9
[M+H-H2O]+ 274.086800 156.1
[M+HCOO]- 336.087741 185.5
[M+CH3COO]- 350.103391 177.1
[M+Na-2H]- 312.064206 171.1
[M]+ 291.08899142 168.4
[M]- 291.09008858 168.4
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

No patent data available for this compound.