CID 3054830

71795-45-4

Structural Information

Molecular Formula
C15H21N5O3S
SMILES
CC(=O)NC1=CC=C(C=C1)S(=O)(=O)NC2=NC=CN2CCN(C)C
InChI
InChI=1S/C15H21N5O3S/c1-12(21)17-13-4-6-14(7-5-13)24(22,23)18-15-16-8-9-20(15)11-10-19(2)3/h4-9H,10-11H2,1-3H3,(H,16,18)(H,17,21)
InChIKey
YSAIPEGHJISNSQ-UHFFFAOYSA-N
Compound name
N-[4-[[1-[2-(dimethylamino)ethyl]imidazol-2-yl]sulfamoyl]phenyl]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

351.1365 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 352.14378 181.0
[M+Na]+ 374.12572 187.0
[M-H]- 350.12922 187.0
[M+NH4]+ 369.17032 193.2
[M+K]+ 390.09966 184.1
[M+H-H2O]+ 334.13376 171.9
[M+HCOO]- 396.13470 200.1
[M+CH3COO]- 410.15035 219.1
[M+Na-2H]- 372.11117 183.3
[M]+ 351.13595 185.2
[M]- 351.13705 185.2
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.