CID 3000988

Nsc363916

Structural Information

Molecular Formula
C17H20N4O3S
SMILES
CN(C)CN1C2=CC=CC=C2/C(=C/3\C(=O)N(C(=O)S3)CN(C)C)/C1=O
InChI
InChI=1S/C17H20N4O3S/c1-18(2)9-20-12-8-6-5-7-11(12)13(15(20)22)14-16(23)21(10-19(3)4)17(24)25-14/h5-8H,9-10H2,1-4H3/b14-13-
InChIKey
IHSVGUNOFKTLFA-YPKPFQOOSA-N
Compound name
(5Z)-3-[(dimethylamino)methyl]-5-[1-[(dimethylamino)methyl]-2-oxoindol-3-ylidene]-1,3-thiazolidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

360.1256 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 361.13288 185.4
[M+Na]+ 383.11482 193.6
[M-H]- 359.11832 193.9
[M+NH4]+ 378.15942 201.8
[M+K]+ 399.08876 190.7
[M+H-H2O]+ 343.12286 178.4
[M+HCOO]- 405.12380 202.3
[M+CH3COO]- 419.13945 224.7
[M+Na-2H]- 381.10027 180.7
[M]+ 360.12505 190.3
[M]- 360.12615 190.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.