CID 24891

10066-73-6

Structural Information

Molecular Formula
C30H44N2O4
SMILES
C[N+](C)(C)CCCOC(=O)C1C(C(C1C2=CC=CC=C2)C(=O)OCCC[N+](C)(C)C)C3=CC=CC=C3
InChI
InChI=1S/C30H44N2O4/c1-31(2,3)19-13-21-35-29(33)27-25(23-15-9-7-10-16-23)28(26(27)24-17-11-8-12-18-24)30(34)36-22-14-20-32(4,5)6/h7-12,15-18,25-28H,13-14,19-22H2,1-6H3/q+2
InChIKey
NGXNHMWACWZLAJ-UHFFFAOYSA-N
Compound name
3-[2,4-diphenyl-3-[3-(trimethylazaniumyl)propoxycarbonyl]cyclobutanecarbonyl]oxypropyl-trimethylazanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

496.3301 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 497.337376 226.7
[M+Na]+ 519.319318 225.3
[M-H]- 495.322824 236.5
[M+NH4]+ 514.363923 227.3
[M+K]+ 535.293258 215.8
[M+H-H2O]+ 479.327360 215.2
[M+HCOO]- 541.328301 242.7
[M+CH3COO]- 555.343951 240.8
[M+Na-2H]- 517.304766 229.8
[M]+ 496.32955142 237.4
[M]- 496.33064858 237.4
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.