CID 5274885

1086-63-1

Structural Information

Molecular Formula
C14H14N2O2
SMILES
CC1=CC=C(C=C1)CNC(=O)C2=C(C=CC=N2)O
InChI
InChI=1S/C14H14N2O2/c1-10-4-6-11(7-5-10)9-16-14(18)13-12(17)3-2-8-15-13/h2-8,17H,9H2,1H3,(H,16,18)
InChIKey
VACCZOICDMQDFM-UHFFFAOYSA-N
Compound name
3-hydroxy-N-[(4-methylphenyl)methyl]pyridine-2-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

13
Patents

242.10553 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 243.11281 154.4
[M+Na]+ 265.09475 161.5
[M-H]- 241.09825 158.7
[M+NH4]+ 260.13935 169.4
[M+K]+ 281.06869 157.5
[M+H-H2O]+ 225.10279 146.2
[M+HCOO]- 287.10373 176.6
[M+CH3COO]- 301.11938 192.8
[M+Na-2H]- 263.08020 159.8
[M]+ 242.10498 153.6
[M]- 242.10608 153.6
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.