CID 362276

Nsc625887

Structural Information

Molecular Formula
C19H11ClN2O4S
SMILES
CC1=C(C=CC(=C1)Cl)N2C(=O)C(=O)C(C(=O)C2=O)C3=NC4=CC=CC=C4S3
InChI
InChI=1S/C19H11ClN2O4S/c1-9-8-10(20)6-7-12(9)22-18(25)15(23)14(16(24)19(22)26)17-21-11-4-2-3-5-13(11)27-17/h2-8,14H,1H3
InChIKey
NFHFVACPBITHHZ-UHFFFAOYSA-N
Compound name
4-(1,3-benzothiazol-2-yl)-1-(4-chloro-2-methylphenyl)piperidine-2,3,5,6-tetrone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

398.01282 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 399.02010 190.6
[M+Na]+ 421.00204 204.0
[M-H]- 397.00554 200.4
[M+NH4]+ 416.04664 203.8
[M+K]+ 436.97598 196.6
[M+H-H2O]+ 381.01008 183.0
[M+HCOO]- 443.01102 201.5
[M+CH3COO]- 457.02667 202.0
[M+Na-2H]- 418.98749 188.3
[M]+ 398.01227 197.3
[M]- 398.01337 197.3
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.