CID 494190

65273-47-4

Structural Information

Molecular Formula
C30H27NO2P
SMILES
C1=CC=C(C=C1)[P+](CCCCN2C(=O)C3=CC=CC=C3C2=O)(C4=CC=CC=C4)C5=CC=CC=C5
InChI
InChI=1S/C30H27NO2P/c32-29-27-20-10-11-21-28(27)30(33)31(29)22-12-13-23-34(24-14-4-1-5-15-24,25-16-6-2-7-17-25)26-18-8-3-9-19-26/h1-11,14-21H,12-13,22-23H2/q+1
InChIKey
ZBZWQPDBFWXHJV-UHFFFAOYSA-N
Compound name
4-(1,3-dioxoisoindol-2-yl)butyl-triphenylphosphanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

7
Patents

464.17795 Da
Monoisotopic Mass

6.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 465.18523 223.7
[M+Na]+ 487.16717 227.1
[M-H]- 463.17067 233.5
[M+NH4]+ 482.21177 231.5
[M+K]+ 503.14111 213.9
[M+H-H2O]+ 447.17521 211.4
[M+HCOO]- 509.17615 245.2
[M+CH3COO]- 523.19180 228.3
[M+Na-2H]- 485.15262 222.9
[M]+ 464.17740 221.5
[M]- 464.17850 221.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe