CID 2820605

Schembl1866072

Structural Information

Molecular Formula

C₁₃H₁₁ClN₂O₃S

SMILES

COC1=CSC=C1C(=O)NNC(=O)C2=CC=C(C=C2)Cl

InChI

InChI=1S/C13H11ClN2O3S/c1-19-11-7-20-6-10(11)13(18)16-15-12(17)8-2-4-9(14)5-3-8/h2-7H,1H3,(H,15,17)(H,16,18)

InChIKey

OGPDEXFLDWQLNX-UHFFFAOYSA-N

Compound name

N'-(4-chlorobenzoyl)-4-methoxythiophene-3-carbohydrazide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 2
References: 17
Patents: 310.01788 Da
Monoisotopic Mass: 2.6
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]+	311.025156	168.6
[M+Na]+	333.007098	176.4
[M-H]-	309.010604	176.1
[M+NH4]+	328.051703	186.0
[M+K]+	348.981038	171.8
[M+H-H2O]+	293.015140	162.5
[M+HCOO]-	355.016081	185.4
[M+CH3COO]-	369.031731	202.8
[M+Na-2H]-	330.992546	169.0
[M]+	310.01733142	173.4
[M]-	310.01842858	173.4

Literature stripe

literature stripe

Patent stripe

patents stripe