CID 48835

67011-28-3

Structural Information

Molecular Formula
C36H72N4O2
SMILES
CC1CCCC(C1CCC(C)[N+](C)(C)CC(=O)NCCNC(=O)C[N+](C)(C)C(C)CCC2C(CCCC2(C)C)C)(C)C
InChI
InChI=1S/C36H70N4O2/c1-27-15-13-21-35(5,6)31(27)19-17-29(3)39(9,10)25-33(41)37-23-24-38-34(42)26-40(11,12)30(4)18-20-32-28(2)16-14-22-36(32,7)8/h27-32H,13-26H2,1-12H3/p+2
InChIKey
LAYJAQJZLWGYOM-UHFFFAOYSA-P
Compound name
[2-[2-[[2-[dimethyl-[4-(2,2,6-trimethylcyclohexyl)butan-2-yl]azaniumyl]acetyl]amino]ethylamino]-2-oxoethyl]-dimethyl-[4-(2,2,6-trimethylcyclohexyl)butan-2-yl]azanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

592.56555 Da
Monoisotopic Mass

8.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 593.57283 266.8
[M+Na]+ 615.55477 270.4
[M+NH4]+ 610.59937 272.6
[M+K]+ 631.52871 273.0
[M-H]- 591.55827 261.0
[M+Na-2H]- 613.54022 255.0
[M]+ 592.56500 267.0
[M]- 592.56610 267.0
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.