CID 3076285

Benzenamine, 4-(5,6-dihydroimidazo(2,1-b)thiazol-3-yl)-2-nitro-, monohydrochloride

Structural Information

Molecular Formula
C11H10N4O2S
SMILES
C1CN2C(=CSC2=N1)C3=CC(=C(C=C3)N)[N+](=O)[O-]
InChI
InChI=1S/C11H10N4O2S/c12-8-2-1-7(5-9(8)15(16)17)10-6-18-11-13-3-4-14(10)11/h1-2,5-6H,3-4,12H2
InChIKey
LUFZAWJEVSTDAT-UHFFFAOYSA-N
Compound name
4-(5,6-dihydroimidazo[2,1-b][1,3]thiazol-3-yl)-2-nitroaniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

262.05246 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 263.05974 153.5
[M+Na]+ 285.04168 161.9
[M-H]- 261.04518 159.4
[M+NH4]+ 280.08628 171.4
[M+K]+ 301.01562 154.0
[M+H-H2O]+ 245.04972 151.1
[M+HCOO]- 307.05066 172.7
[M+CH3COO]- 321.06631 189.1
[M+Na-2H]- 283.02713 157.1
[M]+ 262.05191 151.9
[M]- 262.05301 151.9
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.