CID 3074243

155811-65-7

Structural Information

Molecular Formula
C18H13N5O3S
SMILES
C1N(C(=[N+](O1)[O-])C2=CSC(=N2)N=NC(=O)C3=CC=CC=C3)C4=CC=CC=C4
InChI
InChI=1S/C18H13N5O3S/c24-16(13-7-3-1-4-8-13)20-21-18-19-15(11-27-18)17-22(12-26-23(17)25)14-9-5-2-6-10-14/h1-11H,12H2
InChIKey
IWYHZLSQXHNHQZ-UHFFFAOYSA-N
Compound name
N-[[4-(2-oxido-4-phenyl-5H-1,2,4-oxadiazol-2-ium-3-yl)-1,3-thiazol-2-yl]imino]benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

379.0739 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 380.08118 185.5
[M+Na]+ 402.06312 192.5
[M-H]- 378.06662 197.7
[M+NH4]+ 397.10772 194.9
[M+K]+ 418.03706 184.3
[M+H-H2O]+ 362.07116 179.7
[M+HCOO]- 424.07210 205.5
[M+CH3COO]- 438.08775 210.5
[M+Na-2H]- 400.04857 188.7
[M]+ 379.07335 186.0
[M]- 379.07445 186.0
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.