CID 3079568

Brn 4574600

Structural Information

Molecular Formula
C18H13ClN4O2S
SMILES
C1C(=O)N(C(=NC2=CC=CC=C2)S1)NC(=O)C3=CC4=C(N3)C=CC(=C4)Cl
InChI
InChI=1S/C18H13ClN4O2S/c19-12-6-7-14-11(8-12)9-15(21-14)17(25)22-23-16(24)10-26-18(23)20-13-4-2-1-3-5-13/h1-9,21H,10H2,(H,22,25)
InChIKey
RTABUESMAUQUPI-UHFFFAOYSA-N
Compound name
5-chloro-N-(4-oxo-2-phenylimino-1,3-thiazolidin-3-yl)-1H-indole-2-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

384.04477 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 385.05205 188.0
[M+Na]+ 407.03399 197.9
[M-H]- 383.03749 197.5
[M+NH4]+ 402.07859 202.6
[M+K]+ 423.00793 190.6
[M+H-H2O]+ 367.04203 180.5
[M+HCOO]- 429.04297 202.4
[M+CH3COO]- 443.05862 198.6
[M+Na-2H]- 405.01944 187.6
[M]+ 384.04422 191.4
[M]- 384.04532 191.4
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.