CID 24893

10066-76-9

Structural Information

Molecular Formula
C38H60N2O4
SMILES
CC[N+](C)(CC)CCCCCOC(=O)C1C(C(C1C2=CC=CC=C2)C(=O)OCCCCC[N+](C)(CC)CC)C3=CC=CC=C3
InChI
InChI=1S/C38H60N2O4/c1-7-39(5,8-2)27-19-13-21-29-43-37(41)35-33(31-23-15-11-16-24-31)36(34(35)32-25-17-12-18-26-32)38(42)44-30-22-14-20-28-40(6,9-3)10-4/h11-12,15-18,23-26,33-36H,7-10,13-14,19-22,27-30H2,1-6H3/q+2
InChIKey
FKGJBWKOCMJSEG-UHFFFAOYSA-N
Compound name
5-[3-[5-[diethyl(methyl)azaniumyl]pentoxycarbonyl]-2,4-diphenylcyclobutanecarbonyl]oxypentyl-diethyl-methylazanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

608.4553 Da
Monoisotopic Mass

6.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 609.46258 263.6
[M+Na]+ 631.44452 258.6
[M-H]- 607.44802 271.5
[M+NH4]+ 626.48912 259.5
[M+K]+ 647.41846 247.5
[M+H-H2O]+ 591.45256 250.4
[M+HCOO]- 653.45350 276.6
[M+CH3COO]- 667.46915 262.6
[M+Na-2H]- 629.42997 262.5
[M]+ 608.45475 276.6
[M]- 608.45585 276.6
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.