CID 2805325

Ns00016354

Structural Information

Molecular Formula

C₁₆H₁₅ClN₆O₃

SMILES

CC1=CC(=NO1)N2C=NC(=N2)CC(=NOC(=O)NC3=CC=C(C=C3)Cl)C

InChI

InChI=1S/C16H15ClN6O3/c1-10(21-26-16(24)19-13-5-3-12(17)4-6-13)7-14-18-9-23(20-14)15-8-11(2)25-22-15/h3-6,8-9H,7H2,1-2H3,(H,19,24)

InChIKey

PMESTAPKHLWNIX-UHFFFAOYSA-N

Compound name

[1-[1-(5-methyl-1,2-oxazol-3-yl)-1,2,4-triazol-3-yl]propan-2-ylideneamino] N-(4-chlorophenyl)carbamate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 2
References: 0
Patents: 374.08942 Da
Monoisotopic Mass: 2.9
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]+	375.096696	184.9
[M+Na]+	397.078638	194.2
[M-H]-	373.082144	193.1
[M+NH4]+	392.123243	194.5
[M+K]+	413.052578	190.8
[M+H-H2O]+	357.086680	173.8
[M+HCOO]-	419.087621	204.3
[M+CH3COO]-	433.103271	218.5
[M+Na-2H]-	395.064086	186.8
[M]+	374.08887142	192.6
[M]-	374.08996858	192.6

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.