CID 15958971

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

Structural Information

Molecular Formula
C17H13ClF3N2O3P
SMILES
COP(=O)(C1=CC=CC(=C1)C(F)(F)F)C2=C(NC3=C2C=C(C=C3)Cl)C(=O)N
InChI
InChI=1S/C17H13ClF3N2O3P/c1-26-27(25,11-4-2-3-9(7-11)17(19,20)21)15-12-8-10(18)5-6-13(12)23-14(15)16(22)24/h2-8,23H,1H3,(H2,22,24)
InChIKey
HKHFIZKLDGDBHU-UHFFFAOYSA-N
Compound name
5-chloro-3-[methoxy-[3-(trifluoromethyl)phenyl]phosphoryl]-1H-indole-2-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

8
Patents

416.03046 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 417.03774 191.1
[M+Na]+ 439.01968 201.4
[M-H]- 415.02318 192.0
[M+NH4]+ 434.06428 203.3
[M+K]+ 454.99362 194.7
[M+H-H2O]+ 399.02772 179.7
[M+HCOO]- 461.02866 207.7
[M+CH3COO]- 475.04431 221.8
[M+Na-2H]- 437.00513 190.5
[M]+ 416.02991 191.7
[M]- 416.03101 191.7
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