CID 3054837

71795-51-2

Structural Information

Molecular Formula
C14H21N5O2S
SMILES
CC1=CN=C(N1CCN(C)C)NS(=O)(=O)C2=CC=C(C=C2)N
InChI
InChI=1S/C14H21N5O2S/c1-11-10-16-14(19(11)9-8-18(2)3)17-22(20,21)13-6-4-12(15)5-7-13/h4-7,10H,8-9,15H2,1-3H3,(H,16,17)
InChIKey
PXDUFVOBKCGDGS-UHFFFAOYSA-N
Compound name
4-amino-N-[1-[2-(dimethylamino)ethyl]-5-methylimidazol-2-yl]benzenesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

323.1416 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 324.14888 174.6
[M+Na]+ 346.13082 182.2
[M-H]- 322.13432 180.5
[M+NH4]+ 341.17542 188.3
[M+K]+ 362.10476 178.5
[M+H-H2O]+ 306.13886 165.9
[M+HCOO]- 368.13980 194.0
[M+CH3COO]- 382.15545 215.2
[M+Na-2H]- 344.11627 176.4
[M]+ 323.14105 177.9
[M]- 323.14215 177.9
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.