CID 16227313

101213-32-5

Structural Information

Molecular Formula
C11H13N3S
SMILES
C1CCN(C1)C2=NC3=C(S2)C=C(C=C3)N
InChI
InChI=1S/C11H13N3S/c12-8-3-4-9-10(7-8)15-11(13-9)14-5-1-2-6-14/h3-4,7H,1-2,5-6,12H2
InChIKey
HQWAGLLISXEQGE-UHFFFAOYSA-N
Compound name
2-pyrrolidin-1-yl-1,3-benzothiazol-6-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

2
Patents

219.08302 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 220.09030 145.3
[M+Na]+ 242.07224 155.7
[M-H]- 218.07574 151.0
[M+NH4]+ 237.11684 166.4
[M+K]+ 258.04618 151.5
[M+H-H2O]+ 202.08028 138.7
[M+HCOO]- 264.08122 163.9
[M+CH3COO]- 278.09687 158.7
[M+Na-2H]- 240.05769 146.7
[M]+ 219.08247 145.6
[M]- 219.08357 145.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe