CID 3060825

78311-66-7

Structural Information

Molecular Formula
C19H17N7O2S2
SMILES
C1=CC=C(C=C1)C=NC2=CC=C(C=C2)S(=O)(=O)N(CCC3=NNN=N3)C4=NC=CS4
InChI
InChI=1S/C19H17N7O2S2/c27-30(28,26(19-20-11-13-29-19)12-10-18-22-24-25-23-18)17-8-6-16(7-9-17)21-14-15-4-2-1-3-5-15/h1-9,11,13-14H,10,12H2,(H,22,23,24,25)
InChIKey
CYNWDJYFLYTHIY-UHFFFAOYSA-N
Compound name
4-(benzylideneamino)-N-[2-(2H-tetrazol-5-yl)ethyl]-N-(1,3-thiazol-2-yl)benzenesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

439.0885 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 440.09578 197.1
[M+Na]+ 462.07772 207.2
[M-H]- 438.08122 206.6
[M+NH4]+ 457.12232 204.2
[M+K]+ 478.05166 199.9
[M+H-H2O]+ 422.08576 187.9
[M+HCOO]- 484.08670 211.5
[M+CH3COO]- 498.10235 206.3
[M+Na-2H]- 460.06317 200.1
[M]+ 439.08795 202.0
[M]- 439.08905 202.0
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.