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]+ 456.090716 199.6
[M+Na]+ 478.072658 209.3
[M-H]- 454.076164 208.2
[M+NH4]+ 473.117263 205.4
[M+K]+ 494.046598 202.0
[M+H-H2O]+ 438.080700 190.9
[M+HCOO]- 500.081641 212.6
[M+CH3COO]- 514.097291 208.2
[M+Na-2H]- 476.058106 202.3
[M]+ 455.08289142 204.4
[M]- 455.08398858 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.