CID 3065033

4-nitro-n-(6-phenylimidazo(2,1-b)thiazol-3(2h)-ylidene)benzenamine

Structural Information

Molecular Formula
C17H12N4O2S
SMILES
C1C(=NC2=CC=C(C=C2)[N+](=O)[O-])N3C=C(N=C3S1)C4=CC=CC=C4
InChI
InChI=1S/C17H12N4O2S/c22-21(23)14-8-6-13(7-9-14)18-16-11-24-17-19-15(10-20(16)17)12-4-2-1-3-5-12/h1-10H,11H2
InChIKey
GGLPZCUJVJFNIM-UHFFFAOYSA-N
Compound name
N-(4-nitrophenyl)-6-phenylimidazo[2,1-b][1,3]thiazol-3-imine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

336.06808 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 337.07536 175.3
[M+Na]+ 359.05730 182.9
[M-H]- 335.06080 185.8
[M+NH4]+ 354.10190 190.5
[M+K]+ 375.03124 173.7
[M+H-H2O]+ 319.06534 170.9
[M+HCOO]- 381.06628 196.1
[M+CH3COO]- 395.08193 204.8
[M+Na-2H]- 357.04275 179.1
[M]+ 336.06753 175.1
[M]- 336.06863 175.1
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.