CID 536150

Acetamide, (4-(5,6-dihydroimidazo(2,1-b)thiazol-3-yl)-2-nitrophenyl)-, monohydrochloride

Structural Information

Molecular Formula
C13H12N4O3S
SMILES
CC(=O)NC1=C(C=C(C=C1)C2=CSC3=NCCN23)[N+](=O)[O-]
InChI
InChI=1S/C13H12N4O3S/c1-8(18)15-10-3-2-9(6-11(10)17(19)20)12-7-21-13-14-4-5-16(12)13/h2-3,6-7H,4-5H2,1H3,(H,15,18)
InChIKey
NUXMSMHKEQVIBV-UHFFFAOYSA-N
Compound name
N-[4-(5,6-dihydroimidazo[2,1-b][1,3]thiazol-3-yl)-2-nitrophenyl]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

304.06302 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 305.070296 165.8
[M+Na]+ 327.052238 172.9
[M-H]- 303.055744 172.0
[M+NH4]+ 322.096843 182.0
[M+K]+ 343.026178 165.4
[M+H-H2O]+ 287.060280 163.1
[M+HCOO]- 349.061221 184.3
[M+CH3COO]- 363.076871 197.0
[M+Na-2H]- 325.037686 168.7
[M]+ 304.06247142 165.7
[M]- 304.06356858 165.7
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.