CID 15958992

Chembl3781303

Structural Information

Molecular Formula
C14H12ClN2O3PS
SMILES
COP(=O)(C1=CC=CS1)C2=C(NC3=C2C=C(C=C3)Cl)C(=O)N
InChI
InChI=1S/C14H12ClN2O3PS/c1-20-21(19,11-3-2-6-22-11)13-9-7-8(15)4-5-10(9)17-12(13)14(16)18/h2-7,17H,1H3,(H2,16,18)
InChIKey
CGBRVFGUPUAYMU-UHFFFAOYSA-N
Compound name
5-chloro-3-[methoxy(thiophen-2-yl)phosphoryl]-1H-indole-2-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

8
Patents

353.99948 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 355.00676 175.8
[M+Na]+ 376.98870 186.1
[M-H]- 352.99220 181.3
[M+NH4]+ 372.03330 193.1
[M+K]+ 392.96264 180.8
[M+H-H2O]+ 336.99674 168.6
[M+HCOO]- 398.99768 194.8
[M+CH3COO]- 413.01333 207.4
[M+Na-2H]- 374.97415 173.6
[M]+ 353.99893 181.9
[M]- 354.00003 181.9
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

patents stripe