CID 3039836

Brn 0536038

Structural Information

Molecular Formula

C₁₀H₁₁N₅S

SMILES

CC1=C(C2=NSN=C2C=C1)NC3=NCCN3

InChI

InChI=1S/C10H11N5S/c1-6-2-3-7-9(15-16-14-7)8(6)13-10-11-4-5-12-10/h2-3H,4-5H2,1H3,(H2,11,12,13)

InChIKey

AOSYHDHUOOYLQV-UHFFFAOYSA-N

Compound name

N-(4,5-dihydro-1H-imidazol-2-yl)-5-methyl-2,1,3-benzothiadiazol-4-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 7
Patents: 233.07352 Da
Monoisotopic Mass: 0.8
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]+	234.080796	147.4
[M+Na]+	256.062738	159.1
[M-H]-	232.066244	150.3
[M+NH4]+	251.107343	165.0
[M+K]+	272.036678	154.1
[M+H-H2O]+	216.070780	139.9
[M+HCOO]-	278.071721	164.4
[M+CH3COO]-	292.087371	160.0
[M+Na-2H]-	254.048186	150.6
[M]+	233.07297142	148.8
[M]-	233.07406858	148.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe