CID 43136997

N-(3-aminopropyl)-n-cyclopropyl-3-fluorobenzene-1-sulfonamide hydrochloride

Structural Information

Molecular Formula
C12H17FN2O2S
SMILES
C1CC1N(CCCN)S(=O)(=O)C2=CC=CC(=C2)F
InChI
InChI=1S/C12H17FN2O2S/c13-10-3-1-4-12(9-10)18(16,17)15(8-2-7-14)11-5-6-11/h1,3-4,9,11H,2,5-8,14H2
InChIKey
DZPQEWHRLYSXDU-UHFFFAOYSA-N
Compound name
N-(3-aminopropyl)-N-cyclopropyl-3-fluorobenzenesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

272.0995 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 273.10678 151.5
[M+Na]+ 295.08872 159.3
[M-H]- 271.09222 158.2
[M+NH4]+ 290.13332 163.2
[M+K]+ 311.06266 155.1
[M+H-H2O]+ 255.09676 143.3
[M+HCOO]- 317.09770 170.5
[M+CH3COO]- 331.11335 204.2
[M+Na-2H]- 293.07417 154.8
[M]+ 272.09895 154.7
[M]- 272.10005 154.7
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.