CID 15958975

Schembl12229854

Structural Information

Molecular Formula
C19H20ClN2O3P
SMILES
CCC1=CC=CC=C1P(=O)(C2=C(NC3=C2C=C(C=C3)Cl)C(=O)N)OCC
InChI
InChI=1S/C19H20ClN2O3P/c1-3-12-7-5-6-8-16(12)26(24,25-4-2)18-14-11-13(20)9-10-15(14)22-17(18)19(21)23/h5-11,22H,3-4H2,1-2H3,(H2,21,23)
InChIKey
ZIJLWNJONGIWGS-UHFFFAOYSA-N
Compound name
5-chloro-3-[ethoxy-(2-ethylphenyl)phosphoryl]-1H-indole-2-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

390.09 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 391.09728 192.3
[M+Na]+ 413.07922 201.2
[M-H]- 389.08272 196.6
[M+NH4]+ 408.12382 205.6
[M+K]+ 429.05316 194.7
[M+H-H2O]+ 373.08726 182.8
[M+HCOO]- 435.08820 213.0
[M+CH3COO]- 449.10385 219.9
[M+Na-2H]- 411.06467 190.8
[M]+ 390.08945 197.3
[M]- 390.09055 197.3
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