CID 489612

6-hydroxy-4-(m-tolylmethyl)-2,3-dihydrofuro[2,3-b]pyridine-5-carbonitrile

Structural Information

Molecular Formula
C16H14N2O2
SMILES
CC1=CC(=CC=C1)CC2=C(C(=O)NC3=C2CCO3)C#N
InChI
InChI=1S/C16H14N2O2/c1-10-3-2-4-11(7-10)8-13-12-5-6-20-16(12)18-15(19)14(13)9-17/h2-4,7H,5-6,8H2,1H3,(H,18,19)
InChIKey
QKOQCQLAHPVMMD-UHFFFAOYSA-N
Compound name
4-[(3-methylphenyl)methyl]-6-oxo-3,7-dihydro-2H-furo[2,3-b]pyridine-5-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

266.10553 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 267.11281 162.3
[M+Na]+ 289.09475 174.4
[M-H]- 265.09825 166.7
[M+NH4]+ 284.13935 176.8
[M+K]+ 305.06869 167.3
[M+H-H2O]+ 249.10279 148.4
[M+HCOO]- 311.10373 178.5
[M+CH3COO]- 325.11938 173.0
[M+Na-2H]- 287.08020 165.4
[M]+ 266.10498 157.8
[M]- 266.10608 157.8
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.