CID 3074651

Acetamide, n-(4-(((4,5-dihydro-1h-imidazol-2-yl)thio)acetyl)-2-nitrophenyl)-, monohydrochloride

Structural Information

Molecular Formula
C13H14N4O4S
SMILES
CC(=O)NC1=C(C=C(C=C1)C(=O)CSC2=NCCN2)[N+](=O)[O-]
InChI
InChI=1S/C13H14N4O4S/c1-8(18)16-10-3-2-9(6-11(10)17(20)21)12(19)7-22-13-14-4-5-15-13/h2-3,6H,4-5,7H2,1H3,(H,14,15)(H,16,18)
InChIKey
HDEOSJUWIPRZEI-UHFFFAOYSA-N
Compound name
N-[4-[2-(4,5-dihydro-1H-imidazol-2-ylsulfanyl)acetyl]-2-nitrophenyl]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

322.07358 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 323.08086 167.6
[M+Na]+ 345.06280 176.4
[M+NH4]+ 340.10740 172.5
[M+K]+ 361.03674 175.4
[M-H]- 321.06630 169.3
[M+Na-2H]- 343.04825 171.2
[M]+ 322.07303 169.1
[M]- 322.07413 169.1
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.