CID 5354951

Schembl6634427

Structural Information

Molecular Formula

C₁₅H₁₅N₃O₃S

SMILES

CC(=O)NC1=CC=C(C=C1)S(=O)(=O)N/N=C\C2=CC=CC=C2

InChI

InChI=1S/C15H15N3O3S/c1-12(19)17-14-7-9-15(10-8-14)22(20,21)18-16-11-13-5-3-2-4-6-13/h2-11,18H,1H3,(H,17,19)/b16-11-

InChIKey

GCMAQOABHCELHZ-WJDWOHSUSA-N

Compound name

N-[4-[[(Z)-benzylideneamino]sulfamoyl]phenyl]acetamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 3
Patents: 317.0834 Da
Monoisotopic Mass: 1.7
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]+	318.09068	170.6
[M+Na]+	340.07262	176.5
[M-H]-	316.07612	178.4
[M+NH4]+	335.11722	184.6
[M+K]+	356.04656	172.2
[M+H-H2O]+	300.08066	161.9
[M+HCOO]-	362.08160	192.6
[M+CH3COO]-	376.09725	210.4
[M+Na-2H]-	338.05807	176.4
[M]+	317.08285	172.3
[M]-	317.08395	172.3

Literature stripe

literature stripe

Patent stripe

patents stripe