CID 15959011

Schembl12230162

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

353.99948 Da
Monoisotopic Mass

2.2
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

No literature data available for this compound.

Patent stripe

patents stripe