CID 15958961

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

Structural Information

Molecular Formula
C17H16ClN2O4P
SMILES
COC1=CC=CC=C1P(=O)(C2=C(NC3=C2C=C(C=C3)Cl)C(=O)N)OC
InChI
InChI=1S/C17H16ClN2O4P/c1-23-13-5-3-4-6-14(13)25(22,24-2)16-11-9-10(18)7-8-12(11)20-15(16)17(19)21/h3-9,20H,1-2H3,(H2,19,21)
InChIKey
ZLPSQKYPRBHVGY-UHFFFAOYSA-N
Compound name
5-chloro-3-[methoxy-(2-methoxyphenyl)phosphoryl]-1H-indole-2-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

378.05362 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 379.06090 184.8
[M+Na]+ 401.04284 194.4
[M-H]- 377.04634 189.5
[M+NH4]+ 396.08744 198.5
[M+K]+ 417.01678 189.1
[M+H-H2O]+ 361.05088 175.6
[M+HCOO]- 423.05182 206.4
[M+CH3COO]- 437.06747 216.3
[M+Na-2H]- 399.02829 184.8
[M]+ 378.05307 190.6
[M]- 378.05417 190.6
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

No patent data available for this compound.