CID 15959019

Schembl12229871

Structural Information

Molecular Formula
C22H18ClN2O3P
SMILES
COP(=O)(C1=CC=CC(=C1)C2=CC=CC=C2)C3=C(NC4=C3C=C(C=C4)Cl)C(=O)N
InChI
InChI=1S/C22H18ClN2O3P/c1-28-29(27,17-9-5-8-15(12-17)14-6-3-2-4-7-14)21-18-13-16(23)10-11-19(18)25-20(21)22(24)26/h2-13,25H,1H3,(H2,24,26)
InChIKey
GDFAUEGYAZJQAZ-UHFFFAOYSA-N
Compound name
5-chloro-3-[methoxy-(3-phenylphenyl)phosphoryl]-1H-indole-2-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

8
Patents

424.07437 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 425.08165 199.4
[M+Na]+ 447.06359 208.0
[M-H]- 423.06709 206.8
[M+NH4]+ 442.10819 210.6
[M+K]+ 463.03753 200.8
[M+H-H2O]+ 407.07163 188.4
[M+HCOO]- 469.07257 220.1
[M+CH3COO]- 483.08822 225.0
[M+Na-2H]- 445.04904 198.5
[M]+ 424.07382 202.7
[M]- 424.07492 202.7
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