CID 8996

Phthivazid

Structural Information

Molecular Formula

C₁₄H₁₃N₃O₃

SMILES

COC1=C(C=CC(=C1)C=NNC(=O)C2=CC=NC=C2)O

InChI

InChI=1S/C14H13N3O3/c1-20-13-8-10(2-3-12(13)18)9-16-17-14(19)11-4-6-15-7-5-11/h2-9,18H,1H3,(H,17,19)

InChIKey

PSWOBQSIXLVPDV-UHFFFAOYSA-N

Compound name

N-[(4-hydroxy-3-methoxyphenyl)methylideneamino]pyridine-4-carboxamide

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 20145
References: 1636
Patents: 271.0957 Da
Monoisotopic Mass: 1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	272.10298	159.7
[M+Na]+	294.08492	166.6
[M-H]-	270.08842	165.4
[M+NH4]+	289.12952	173.8
[M+K]+	310.05886	163.5
[M+H-H2O]+	254.09296	150.6
[M+HCOO]-	316.09390	184.9
[M+CH3COO]-	330.10955	201.1
[M+Na-2H]-	292.07037	166.2
[M]+	271.09515	160.7
[M]-	271.09625	160.7

Literature stripe

literature stripe

Patent stripe

patents stripe