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

5
Patents

233.07352 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 234.08080 147.4
[M+Na]+ 256.06274 159.1
[M-H]- 232.06624 150.3
[M+NH4]+ 251.10734 165.0
[M+K]+ 272.03668 154.1
[M+H-H2O]+ 216.07078 139.9
[M+HCOO]- 278.07172 164.4
[M+CH3COO]- 292.08737 160.0
[M+Na-2H]- 254.04819 150.6
[M]+ 233.07297 148.8
[M]- 233.07407 148.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe