CID 3054839

71795-53-4

Structural Information

Molecular Formula
C13H19N5O2S
SMILES
CN(C)CCN1C=CN=C1NS(=O)(=O)C2=CC=C(C=C2)N
InChI
InChI=1S/C13H19N5O2S/c1-17(2)9-10-18-8-7-15-13(18)16-21(19,20)12-5-3-11(14)4-6-12/h3-8H,9-10,14H2,1-2H3,(H,15,16)
InChIKey
POYHLULQLFYWOX-UHFFFAOYSA-N
Compound name
4-amino-N-[1-[2-(dimethylamino)ethyl]imidazol-2-yl]benzenesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

309.12595 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 310.13323 169.4
[M+Na]+ 332.11517 177.8
[M+NH4]+ 327.15977 174.9
[M+K]+ 348.08911 173.7
[M-H]- 308.11867 171.8
[M+Na-2H]- 330.10062 175.2
[M]+ 309.12540 171.3
[M]- 309.12650 171.3
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.