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]+ 305.07030 165.8
[M+Na]+ 327.05224 172.9
[M-H]- 303.05574 172.0
[M+NH4]+ 322.09684 182.0
[M+K]+ 343.02618 165.4
[M+H-H2O]+ 287.06028 163.1
[M+HCOO]- 349.06122 184.3
[M+CH3COO]- 363.07687 197.0
[M+Na-2H]- 325.03769 168.7
[M]+ 304.06247 165.7
[M]- 304.06357 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.