CID 4736789

6-(pyrrolidine-1-sulfonyl)-1,3-benzothiazol-2-amine

Structural Information

Molecular Formula
C11H13N3O2S2
SMILES
C1CCN(C1)S(=O)(=O)C2=CC3=C(C=C2)N=C(S3)N
InChI
InChI=1S/C11H13N3O2S2/c12-11-13-9-4-3-8(7-10(9)17-11)18(15,16)14-5-1-2-6-14/h3-4,7H,1-2,5-6H2,(H2,12,13)
InChIKey
KCOATLSYQAGZKY-UHFFFAOYSA-N
Compound name
6-pyrrolidin-1-ylsulfonyl-1,3-benzothiazol-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

12
Patents

283.04492 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 284.05220 161.7
[M+Na]+ 306.03414 172.9
[M-H]- 282.03764 167.4
[M+NH4]+ 301.07874 180.4
[M+K]+ 322.00808 168.1
[M+H-H2O]+ 266.04218 156.7
[M+HCOO]- 328.04312 174.2
[M+CH3COO]- 342.05877 173.9
[M+Na-2H]- 304.01959 162.8
[M]+ 283.04437 164.1
[M]- 283.04547 164.1
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