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]+ 292.09682 163.9
[M+Na]+ 314.07876 175.8
[M-H]- 290.08226 171.9
[M+NH4]+ 309.12336 180.2
[M+K]+ 330.05270 170.9
[M+H-H2O]+ 274.08680 156.1
[M+HCOO]- 336.08774 185.5
[M+CH3COO]- 350.10339 177.1
[M+Na-2H]- 312.06421 171.1
[M]+ 291.08899 168.4
[M]- 291.09009 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.