CID 135446838

(2e)-4-amino-2-[3-(4-chlorophenyl)-4-oxo-2-thioxo-thiazolidin-5-ylidene]-3-phenyl-thiazole-5-carboxamide

Structural Information

Molecular Formula
C19H13ClN4O2S3
SMILES
C1=CC=C(C=C1)N2/C(=C\3/C(=O)N(C(=S)S3)C4=CC=C(C=C4)Cl)/S/C(=C(/N)\O)/C2=N
InChI
InChI=1S/C19H13ClN4O2S3/c20-10-6-8-12(9-7-10)24-17(26)14(29-19(24)27)18-23(11-4-2-1-3-5-11)15(21)13(28-18)16(22)25/h1-9,21,25H,22H2/b16-13-,18-14+,21-15?
InChIKey
BGNURBQWVSOMRY-XETJBNQUSA-N
Compound name
(5E)-5-[(5Z)-5-[amino(hydroxy)methylidene]-4-imino-3-phenyl-1,3-thiazolidin-2-ylidene]-3-(4-chlorophenyl)-2-sulfanylidene-1,3-thiazolidin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

459.98892 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 460.99620 205.2
[M+Na]+ 482.97814 216.4
[M-H]- 458.98164 214.4
[M+NH4]+ 478.02274 215.6
[M+K]+ 498.95208 204.5
[M+H-H2O]+ 442.98618 200.7
[M+HCOO]- 504.98712 207.1
[M+CH3COO]- 519.00277 213.2
[M+Na-2H]- 480.96359 199.3
[M]+ 459.98837 204.4
[M]- 459.98947 204.4
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.