CID 135409055

170944-57-7

Structural Information

Molecular Formula
C15H16N2O3
SMILES
CC1(CC(=C(C(=O)C1)C=NC(=O)C2=CC=NC=C2)O)C
InChI
InChI=1S/C15H16N2O3/c1-15(2)7-12(18)11(13(19)8-15)9-17-14(20)10-3-5-16-6-4-10/h3-6,9,18H,7-8H2,1-2H3
InChIKey
RGABVUVXNMJEHW-UHFFFAOYSA-N
Compound name
N-[(2-hydroxy-4,4-dimethyl-6-oxocyclohexen-1-yl)methylidene]pyridine-4-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

272.1161 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 273.12338 160.8
[M+Na]+ 295.10532 168.4
[M-H]- 271.10882 166.5
[M+NH4]+ 290.14992 177.5
[M+K]+ 311.07926 165.4
[M+H-H2O]+ 255.11336 153.2
[M+HCOO]- 317.11430 182.0
[M+CH3COO]- 331.12995 199.6
[M+Na-2H]- 293.09077 164.9
[M]+ 272.11555 160.2
[M]- 272.11665 160.2
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.