CID 494280

5-methoxy-2-((triphenylphosphoranyl)methyl)-1h-indole

Structural Information

Molecular Formula
C28H25NOP
SMILES
COC1=CC2=C(C=C1)NC(=C2)C[P+](C3=CC=CC=C3)(C4=CC=CC=C4)C5=CC=CC=C5
InChI
InChI=1S/C28H25NOP/c1-30-24-17-18-28-22(20-24)19-23(29-28)21-31(25-11-5-2-6-12-25,26-13-7-3-8-14-26)27-15-9-4-10-16-27/h2-20,29H,21H2,1H3/q+1
InChIKey
HYQLABNVRIUQAY-UHFFFAOYSA-N
Compound name
(5-methoxy-1H-indol-2-yl)methyl-triphenylphosphanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

422.1674 Da
Monoisotopic Mass

6.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 423.17468 211.9
[M+Na]+ 445.15662 216.6
[M-H]- 421.16012 221.2
[M+NH4]+ 440.20122 221.0
[M+K]+ 461.13056 203.1
[M+H-H2O]+ 405.16466 200.5
[M+HCOO]- 467.16560 234.8
[M+CH3COO]- 481.18125 218.3
[M+Na-2H]- 443.14207 214.1
[M]+ 422.16685 209.9
[M]- 422.16795 209.9
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.