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]+ 310.133226 169.7
[M+Na]+ 332.115168 176.9
[M-H]- 308.118674 175.4
[M+NH4]+ 327.159773 183.6
[M+K]+ 348.089108 173.4
[M+H-H2O]+ 292.123210 160.9
[M+HCOO]- 354.124151 189.5
[M+CH3COO]- 368.139801 211.0
[M+Na-2H]- 330.100616 172.7
[M]+ 309.12540142 172.2
[M]- 309.12649858 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.