CID 15958998

Schembl12229887

Structural Information

Molecular Formula
C18H17ClFN2O3P
SMILES
CC1=CC(=CC(=C1)P(=O)(C2=C(NC3=C2C(=C(C=C3)Cl)F)C(=O)N)OC)C
InChI
InChI=1S/C18H17ClFN2O3P/c1-9-6-10(2)8-11(7-9)26(24,25-3)17-14-13(22-16(17)18(21)23)5-4-12(19)15(14)20/h4-8,22H,1-3H3,(H2,21,23)
InChIKey
OTUFBWGKRGXXRD-UHFFFAOYSA-N
Compound name
5-chloro-3-[(3,5-dimethylphenyl)-methoxyphosphoryl]-4-fluoro-1H-indole-2-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

9
Patents

394.06494 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 395.07222 190.1
[M+Na]+ 417.05416 201.3
[M-H]- 393.05766 194.0
[M+NH4]+ 412.09876 203.8
[M+K]+ 433.02810 194.7
[M+H-H2O]+ 377.06220 180.4
[M+HCOO]- 439.06314 210.1
[M+CH3COO]- 453.07879 222.2
[M+Na-2H]- 415.03961 187.3
[M]+ 394.06439 194.7
[M]- 394.06549 194.7
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