CID 75469683

5h,6h,7h-pyrrolo[1,2-a]imidazole-3-sulfonamide

Structural Information

Molecular Formula
C6H9N3O2S
SMILES
C1CC2=NC=C(N2C1)S(=O)(=O)N
InChI
InChI=1S/C6H9N3O2S/c7-12(10,11)6-4-8-5-2-1-3-9(5)6/h4H,1-3H2,(H2,7,10,11)
InChIKey
SIAJGWILHWNWCO-UHFFFAOYSA-N
Compound name
6,7-dihydro-5H-pyrrolo[1,2-a]imidazole-3-sulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

187.04155 Da
Monoisotopic Mass

-0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 188.048826 138.0
[M+Na]+ 210.030768 148.4
[M-H]- 186.034274 140.5
[M+NH4]+ 205.075373 160.0
[M+K]+ 226.004708 146.5
[M+H-H2O]+ 170.038810 132.9
[M+HCOO]- 232.039751 155.6
[M+CH3COO]- 246.055401 177.8
[M+Na-2H]- 208.016216 141.3
[M]+ 187.04100142 139.1
[M]- 187.04209858 139.1
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

No patent data available for this compound.