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]+ 263.059736 153.5
[M+Na]+ 285.041678 161.9
[M-H]- 261.045184 159.4
[M+NH4]+ 280.086283 171.4
[M+K]+ 301.015618 154.0
[M+H-H2O]+ 245.049720 151.1
[M+HCOO]- 307.050661 172.7
[M+CH3COO]- 321.066311 189.1
[M+Na-2H]- 283.027126 157.1
[M]+ 262.05191142 151.9
[M]- 262.05300858 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.