CID 9555785

Nsc623765

Structural Information

Molecular Formula
C22H13N5O5S2
SMILES
C1=CC=C(C(=C1)C(=O)N/N=C\2/C(C(=O)C(=O)N(C2=O)C3=NC=CS3)C4=NC5=CC=CC=C5S4)O
InChI
InChI=1S/C22H13N5O5S2/c28-13-7-3-1-5-11(13)18(30)26-25-16-15(19-24-12-6-2-4-8-14(12)34-19)17(29)21(32)27(20(16)31)22-23-9-10-33-22/h1-10,15,28H,(H,26,30)/b25-16-
InChIKey
AFOVBFGUFQEADK-XYGWBWBKSA-N
Compound name
N-[(Z)-[4-(1,3-benzothiazol-2-yl)-2,5,6-trioxo-1-(1,3-thiazol-2-yl)piperidin-3-ylidene]amino]-2-hydroxybenzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

491.0358 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 492.04308 210.9
[M+Na]+ 514.02502 220.6
[M-H]- 490.02852 222.2
[M+NH4]+ 509.06962 218.8
[M+K]+ 529.99896 213.7
[M+H-H2O]+ 474.03306 203.7
[M+HCOO]- 536.03400 222.9
[M+CH3COO]- 550.04965 219.4
[M+Na-2H]- 512.01047 209.4
[M]+ 491.03525 215.2
[M]- 491.03635 215.2
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.