CID 9555823

Nsc635119

Structural Information

Molecular Formula
C26H17ClN4O5S
SMILES
CC1=C(C=CC(=C1)Cl)N2C(=O)/C(=N\NC(=O)C3=CC=CC=C3O)/C(C(=O)C2=O)C4=NC5=CC=CC=C5S4
InChI
InChI=1S/C26H17ClN4O5S/c1-13-12-14(27)10-11-17(13)31-25(35)21(29-30-23(34)15-6-2-4-8-18(15)32)20(22(33)26(31)36)24-28-16-7-3-5-9-19(16)37-24/h2-12,20,32H,1H3,(H,30,34)/b29-21-
InChIKey
ZDASDVIFAVOURF-ANYBSYGZSA-N
Compound name
N-[(Z)-[4-(1,3-benzothiazol-2-yl)-1-(4-chloro-2-methylphenyl)-2,5,6-trioxopiperidin-3-ylidene]amino]-2-hydroxybenzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

532.0608 Da
Monoisotopic Mass

6.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 533.06808 225.1
[M+Na]+ 555.05002 234.7
[M-H]- 531.05352 237.3
[M+NH4]+ 550.09462 231.2
[M+K]+ 571.02396 227.2
[M+H-H2O]+ 515.05806 215.3
[M+HCOO]- 577.05900 236.0
[M+CH3COO]- 591.07465 232.9
[M+Na-2H]- 553.03547 222.8
[M]+ 532.06025 230.8
[M]- 532.06135 230.8
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.