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

1
Patents

302.10553 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 303.112806 167.7
[M+Na]+ 325.094748 174.8
[M-H]- 301.098254 175.0
[M+NH4]+ 320.139353 181.0
[M+K]+ 341.068688 170.4
[M+H-H2O]+ 285.102790 157.7
[M+HCOO]- 347.103731 186.6
[M+CH3COO]- 361.119381 178.5
[M+Na-2H]- 323.080196 176.8
[M]+ 302.10498142 166.9
[M]- 302.10607858 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