CID 3003976

Nsc372568

Structural Information

Molecular Formula
C17H17N3O4S
SMILES
CN1C2=CC=CC=C2/C(=C\3/C(=O)N(C(=O)S3)CN4CCOCC4)/C1=O
InChI
InChI=1S/C17H17N3O4S/c1-18-12-5-3-2-4-11(12)13(15(18)21)14-16(22)20(17(23)25-14)10-19-6-8-24-9-7-19/h2-5H,6-10H2,1H3/b14-13+
InChIKey
DUPMQOJKVXEHGK-BUHFOSPRSA-N
Compound name
(5E)-5-(1-methyl-2-oxoindol-3-ylidene)-3-(morpholin-4-ylmethyl)-1,3-thiazolidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

359.09396 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 360.10124 184.7
[M+Na]+ 382.08318 193.3
[M-H]- 358.08668 192.4
[M+NH4]+ 377.12778 197.4
[M+K]+ 398.05712 189.3
[M+H-H2O]+ 342.09122 177.7
[M+HCOO]- 404.09216 194.4
[M+CH3COO]- 418.10781 194.5
[M+Na-2H]- 380.06863 178.8
[M]+ 359.09341 184.4
[M]- 359.09451 184.4
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.