CID 15958989

Schembl12229836

Structural Information

Molecular Formula
C20H22ClN2O3P
SMILES
CCOP(=O)(C1=CC=CC(=C1)C(C)C)C2=C(NC3=C2C=C(C=C3)Cl)C(=O)N
InChI
InChI=1S/C20H22ClN2O3P/c1-4-26-27(25,15-7-5-6-13(10-15)12(2)3)19-16-11-14(21)8-9-17(16)23-18(19)20(22)24/h5-12,23H,4H2,1-3H3,(H2,22,24)
InChIKey
TXVPPZJNJMHXIU-UHFFFAOYSA-N
Compound name
5-chloro-3-[ethoxy-(3-propan-2-ylphenyl)phosphoryl]-1H-indole-2-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

7
Patents

404.10565 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 405.11293 196.3
[M+Na]+ 427.09487 204.4
[M-H]- 403.09837 200.6
[M+NH4]+ 422.13947 209.0
[M+K]+ 443.06881 198.4
[M+H-H2O]+ 387.10291 186.9
[M+HCOO]- 449.10385 215.7
[M+CH3COO]- 463.11950 223.7
[M+Na-2H]- 425.08032 193.3
[M]+ 404.10510 201.1
[M]- 404.10620 201.1
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