CID 213672

N-(9h-xanthen-9-yl)pyridine-4-carboxamide

Structural Information

Molecular Formula
C19H14N2O2
SMILES
C1=CC=C2C(=C1)C(C3=CC=CC=C3O2)NC(=O)C4=CC=NC=C4
InChI
InChI=1S/C19H14N2O2/c22-19(13-9-11-20-12-10-13)21-18-14-5-1-3-7-16(14)23-17-8-4-2-6-15(17)18/h1-12,18H,(H,21,22)
InChIKey
IHCSGQFLWZJGPY-UHFFFAOYSA-N
Compound name
N-(9H-xanthen-9-yl)pyridine-4-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

302.10553 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 303.11281 167.7
[M+Na]+ 325.09475 174.8
[M-H]- 301.09825 175.0
[M+NH4]+ 320.13935 181.0
[M+K]+ 341.06869 170.4
[M+H-H2O]+ 285.10279 157.7
[M+HCOO]- 347.10373 186.6
[M+CH3COO]- 361.11938 178.5
[M+Na-2H]- 323.08020 176.8
[M]+ 302.10498 166.9
[M]- 302.10608 166.9
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