CID 3088388

Brn 4722533

Structural Information

Molecular Formula
C19H15ClN4O2S
SMILES
CC1=C(NC2=C1C=C(C=C2)Cl)C(=O)NN3C(=O)CSC3=NC4=CC=CC=C4
InChI
InChI=1S/C19H15ClN4O2S/c1-11-14-9-12(20)7-8-15(14)22-17(11)18(26)23-24-16(25)10-27-19(24)21-13-5-3-2-4-6-13/h2-9,22H,10H2,1H3,(H,23,26)
InChIKey
XZPSBFYWBHWLKA-UHFFFAOYSA-N
Compound name
5-chloro-3-methyl-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

398.06042 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 399.06770 193.2
[M+Na]+ 421.04964 203.5
[M-H]- 397.05314 202.9
[M+NH4]+ 416.09424 207.5
[M+K]+ 437.02358 195.9
[M+H-H2O]+ 381.05768 185.8
[M+HCOO]- 443.05862 207.2
[M+CH3COO]- 457.07427 203.7
[M+Na-2H]- 419.03509 191.6
[M]+ 398.05987 197.3
[M]- 398.06097 197.3
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.