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 169.7
[M+Na]+ 332.11517 176.9
[M-H]- 308.11867 175.4
[M+NH4]+ 327.15977 183.6
[M+K]+ 348.08911 173.4
[M+H-H2O]+ 292.12321 160.9
[M+HCOO]- 354.12415 189.5
[M+CH3COO]- 368.13980 211.0
[M+Na-2H]- 330.10062 172.7
[M]+ 309.12540 172.2
[M]- 309.12650 172.2
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.