CID 3074246

155812-15-0

Structural Information

Molecular Formula
C19H15N5O2S
SMILES
C=C(C1=CC=CC=C1)N=NC2=NC(=CS2)C3=[N+](OCN3C4=CC=CC=C4)[O-]
InChI
InChI=1S/C19H15N5O2S/c1-14(15-8-4-2-5-9-15)21-22-19-20-17(12-27-19)18-23(13-26-24(18)25)16-10-6-3-7-11-16/h2-12H,1,13H2
InChIKey
PXOKPFRQOYZAHO-UHFFFAOYSA-N
Compound name
[4-(2-oxido-4-phenyl-5H-1,2,4-oxadiazol-2-ium-3-yl)-1,3-thiazol-2-yl]-(1-phenylethenyl)diazene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

377.09464 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 378.10192 186.7
[M+Na]+ 400.08386 193.6
[M-H]- 376.08736 198.7
[M+NH4]+ 395.12846 196.3
[M+K]+ 416.05780 184.6
[M+H-H2O]+ 360.09190 180.8
[M+HCOO]- 422.09284 206.3
[M+CH3COO]- 436.10849 211.9
[M+Na-2H]- 398.06931 189.2
[M]+ 377.09409 186.4
[M]- 377.09519 186.4
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.