CID 3051942

Brn 1187319

Structural Information

Molecular Formula
C24H16N4O2S2
SMILES
C1=CC=C(C=C1)C2=NC(=CS2)C3=CC=C(C=C3)NC4=NC(=CS4)C5=CC=C(C=C5)[N+](=O)[O-]
InChI
InChI=1S/C24H16N4O2S2/c29-28(30)20-12-8-17(9-13-20)22-15-32-24(27-22)25-19-10-6-16(7-11-19)21-14-31-23(26-21)18-4-2-1-3-5-18/h1-15H,(H,25,27)
InChIKey
LMWPZNGQZMIYGP-UHFFFAOYSA-N
Compound name
4-(4-nitrophenyl)-N-[4-(2-phenyl-1,3-thiazol-4-yl)phenyl]-1,3-thiazol-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

456.07147 Da
Monoisotopic Mass

6.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 457.07875 202.6
[M+Na]+ 479.06069 210.7
[M-H]- 455.06419 217.1
[M+NH4]+ 474.10529 211.2
[M+K]+ 495.03463 198.1
[M+H-H2O]+ 439.06873 197.5
[M+HCOO]- 501.06967 219.7
[M+CH3COO]- 515.08532 223.2
[M+Na-2H]- 477.04614 204.7
[M]+ 456.07092 203.3
[M]- 456.07202 203.3
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.