CID 3074244

155811-73-7

Structural Information

Molecular Formula

C₁₉H₁₅N₅O₃S

SMILES

CC1=CC=C(C=C1)N2CO[N+](=C2C3=CSC(=N3)N=NC(=O)C4=CC=CC=C4)[O-]

InChI

InChI=1S/C19H15N5O3S/c1-13-7-9-15(10-8-13)23-12-27-24(26)18(23)16-11-28-19(20-16)22-21-17(25)14-5-3-2-4-6-14/h2-11H,12H2,1H3

InChIKey

VDGCAHRHSFMWLJ-UHFFFAOYSA-N

Compound name

N-[[4-[4-(4-methylphenyl)-2-oxido-5H-1,2,4-oxadiazol-2-ium-3-yl]-1,3-thiazol-2-yl]imino]benzamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 393.08957 Da
Monoisotopic Mass: 4.4
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]+	394.096846	191.0
[M+Na]+	416.078788	198.4
[M-H]-	392.082294	203.4
[M+NH4]+	411.123393	200.1
[M+K]+	432.052728	189.9
[M+H-H2O]+	376.086830	185.2
[M+HCOO]-	438.087771	210.6
[M+CH3COO]-	452.103421	214.5
[M+Na-2H]-	414.064236	193.1
[M]+	393.08902142	192.2
[M]-	393.09011858	192.2

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.