CID 15958948

5-chloro-3-[ethoxy-[3-(trifluoromethyl)phenyl]phosphoryl]-1h-indole-2-carboxamide

Structural Information

Molecular Formula
C18H15ClF3N2O3P
SMILES
CCOP(=O)(C1=CC=CC(=C1)C(F)(F)F)C2=C(NC3=C2C=C(C=C3)Cl)C(=O)N
InChI
InChI=1S/C18H15ClF3N2O3P/c1-2-27-28(26,12-5-3-4-10(8-12)18(20,21)22)16-13-9-11(19)6-7-14(13)24-15(16)17(23)25/h3-9,24H,2H2,1H3,(H2,23,25)
InChIKey
VBJWKOJLPAHHMA-UHFFFAOYSA-N
Compound name
5-chloro-3-[ethoxy-[3-(trifluoromethyl)phenyl]phosphoryl]-1H-indole-2-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

8
Patents

430.04608 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 431.05336 195.9
[M+Na]+ 453.03530 205.8
[M-H]- 429.03880 196.6
[M+NH4]+ 448.07990 207.5
[M+K]+ 469.00924 198.8
[M+H-H2O]+ 413.04334 184.3
[M+HCOO]- 475.04428 212.1
[M+CH3COO]- 489.05993 224.7
[M+Na-2H]- 451.02075 194.7
[M]+ 430.04553 196.8
[M]- 430.04663 196.8
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