CID 3078552

Brn 4599494

Structural Information

Molecular Formula
C24H17ClN4O2S
SMILES
C1C(=O)N(C(=NC2=CC=CC=C2)S1)NC(=O)C3=C(C4=C(N3)C=CC(=C4)Cl)C5=CC=CC=C5
InChI
InChI=1S/C24H17ClN4O2S/c25-16-11-12-19-18(13-16)21(15-7-3-1-4-8-15)22(27-19)23(31)28-29-20(30)14-32-24(29)26-17-9-5-2-6-10-17/h1-13,27H,14H2,(H,28,31)
InChIKey
YHCGZOSEKFUXNK-UHFFFAOYSA-N
Compound name
5-chloro-N-(4-oxo-2-phenylimino-1,3-thiazolidin-3-yl)-3-phenyl-1H-indole-2-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

460.07608 Da
Monoisotopic Mass

6.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 461.08336 208.3
[M+Na]+ 483.06530 217.6
[M-H]- 459.06880 220.7
[M+NH4]+ 478.10990 219.4
[M+K]+ 499.03924 209.0
[M+H-H2O]+ 443.07334 199.6
[M+HCOO]- 505.07428 222.0
[M+CH3COO]- 519.08993 217.5
[M+Na-2H]- 481.05075 206.6
[M]+ 460.07553 211.7
[M]- 460.07663 211.7
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.