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

3
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

patents stripe