CID 3060827

78311-68-9

Structural Information

Molecular Formula
C19H17N7O3S2
SMILES
C1=CC=C(C(=C1)C=NC2=CC=C(C=C2)S(=O)(=O)N(CCC3=NNN=N3)C4=NC=CS4)O
InChI
InChI=1S/C19H17N7O3S2/c27-17-4-2-1-3-14(17)13-21-15-5-7-16(8-6-15)31(28,29)26(19-20-10-12-30-19)11-9-18-22-24-25-23-18/h1-8,10,12-13,27H,9,11H2,(H,22,23,24,25)
InChIKey
UBILLQYRXPKMHY-UHFFFAOYSA-N
Compound name
4-[(2-hydroxyphenyl)methylideneamino]-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

455.08344 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 456.09072 199.6
[M+Na]+ 478.07266 209.3
[M-H]- 454.07616 208.2
[M+NH4]+ 473.11726 205.4
[M+K]+ 494.04660 202.0
[M+H-H2O]+ 438.08070 190.9
[M+HCOO]- 500.08164 212.6
[M+CH3COO]- 514.09729 208.2
[M+Na-2H]- 476.05811 202.3
[M]+ 455.08289 204.4
[M]- 455.08399 204.4
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.