CID 366522

Nsc635131

Structural Information

Molecular Formula
C23H20N2O4S
SMILES
CCC1=C(C(=CC=C1)C(C)C)N2C(=O)C(=O)C(C(=O)C2=O)C3=NC4=CC=CC=C4S3
InChI
InChI=1S/C23H20N2O4S/c1-4-13-8-7-9-14(12(2)3)18(13)25-22(28)19(26)17(20(27)23(25)29)21-24-15-10-5-6-11-16(15)30-21/h5-12,17H,4H2,1-3H3
InChIKey
OLBXECVLIXZXID-UHFFFAOYSA-N
Compound name
4-(1,3-benzothiazol-2-yl)-1-(2-ethyl-6-propan-2-ylphenyl)piperidine-2,3,5,6-tetrone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

420.11438 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 421.12166 200.2
[M+Na]+ 443.10360 210.7
[M-H]- 419.10710 209.4
[M+NH4]+ 438.14820 211.4
[M+K]+ 459.07754 204.2
[M+H-H2O]+ 403.11164 191.5
[M+HCOO]- 465.11258 213.3
[M+CH3COO]- 479.12823 228.0
[M+Na-2H]- 441.08905 195.6
[M]+ 420.11383 205.4
[M]- 420.11493 205.4
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.