CID 3054820

71795-35-2

Structural Information

Molecular Formula
C16H23N5O3S
SMILES
CC1=CN=C(N1CCN(C)C)NS(=O)(=O)C2=CC=C(C=C2)NC(=O)C
InChI
InChI=1S/C16H23N5O3S/c1-12-11-17-16(21(12)10-9-20(3)4)19-25(23,24)15-7-5-14(6-8-15)18-13(2)22/h5-8,11H,9-10H2,1-4H3,(H,17,19)(H,18,22)
InChIKey
CCJJQMYSIBUXCB-UHFFFAOYSA-N
Compound name
N-[4-[[1-[2-(dimethylamino)ethyl]-5-methylimidazol-2-yl]sulfamoyl]phenyl]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

365.15216 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 366.15944 185.8
[M+Na]+ 388.14138 192.1
[M-H]- 364.14488 191.9
[M+NH4]+ 383.18598 197.7
[M+K]+ 404.11532 189.0
[M+H-H2O]+ 348.14942 176.8
[M+HCOO]- 410.15036 204.5
[M+CH3COO]- 424.16601 223.3
[M+Na-2H]- 386.12683 186.9
[M]+ 365.15161 190.7
[M]- 365.15271 190.7
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.