CID 73719561

Sfjoafuqcazgfh-uhfffaoysa-n

Structural Information

Molecular Formula

C₁₄H₁₇N₅O₄S

SMILES

CC1=C(OC(=N1)NC(=NS(=O)(=O)C2=CC=C(C=C2)NC(=O)C)N)C

InChI

InChI=1S/C14H17N5O4S/c1-8-9(2)23-14(16-8)18-13(15)19-24(21,22)12-6-4-11(5-7-12)17-10(3)20/h4-7H,1-3H3,(H,17,20)(H3,15,16,18,19)

InChIKey

SFJOAFUQCAZGFH-UHFFFAOYSA-N

Compound name

N-[4-[[amino-[(4,5-dimethyl-1,3-oxazol-2-yl)amino]methylidene]amino]sulfonylphenyl]acetamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 351.10013 Da
Monoisotopic Mass: 1.2
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]+	352.107406	181.6
[M+Na]+	374.089348	188.2
[M-H]-	350.092854	189.4
[M+NH4]+	369.133953	193.4
[M+K]+	390.063288	186.2
[M+H-H2O]+	334.097390	173.1
[M+HCOO]-	396.098331	202.0
[M+CH3COO]-	410.113981	220.1
[M+Na-2H]-	372.074796	184.0
[M]+	351.09958142	184.5
[M]-	351.10067858	184.5

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.