CID 506857

1h-indole-2-carboxamide, 3-[(2-amino-5-chlorophenyl)thio]-5-chloro-

Structural Information

Molecular Formula
C15H11Cl2N3OS
SMILES
C1=CC(=C(C=C1Cl)SC2=C(NC3=C2C=C(C=C3)Cl)C(=O)N)N
InChI
InChI=1S/C15H11Cl2N3OS/c16-7-2-4-11-9(5-7)14(13(20-11)15(19)21)22-12-6-8(17)1-3-10(12)18/h1-6,20H,18H2,(H2,19,21)
InChIKey
ZTEYJAPWISRHBI-UHFFFAOYSA-N
Compound name
3-(2-amino-5-chlorophenyl)sulfanyl-5-chloro-1H-indole-2-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

0
Patents

351.0 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 352.00728 175.8
[M+Na]+ 373.98922 187.8
[M-H]- 349.99272 180.9
[M+NH4]+ 369.03382 191.4
[M+K]+ 389.96316 178.8
[M+H-H2O]+ 333.99726 170.9
[M+HCOO]- 395.99820 184.5
[M+CH3COO]- 410.01385 186.7
[M+Na-2H]- 371.97467 175.3
[M]+ 350.99945 179.8
[M]- 351.00055 179.8
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

No patent data available for this compound.