CID 13670225

96804-15-8

Structural Information

Molecular Formula
C24H44N6O10
SMILES
CN(C)N(C(CC(=O)OC)C(=O)OC)C(=O)NCCCCCCNC(=O)N(C(CC(=O)OC)C(=O)OC)N(C)C
InChI
InChI=1S/C24H44N6O10/c1-27(2)29(17(21(33)39-7)15-19(31)37-5)23(35)25-13-11-9-10-12-14-26-24(36)30(28(3)4)18(22(34)40-8)16-20(32)38-6/h17-18H,9-16H2,1-8H3,(H,25,35)(H,26,36)
InChIKey
BMQXIJQEIRQCRR-UHFFFAOYSA-N
Compound name
dimethyl 2-[6-[[(1,4-dimethoxy-1,4-dioxobutan-2-yl)-(dimethylamino)carbamoyl]amino]hexylcarbamoyl-(dimethylamino)amino]butanedioate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

576.3119 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 577.31918 255.5
[M+Na]+ 599.30112 270.3
[M+NH4]+ 594.34572 272.6
[M+K]+ 615.27506 267.7
[M-H]- 575.30462 273.2
[M+Na-2H]- 597.28657 266.4
[M]+ 576.31135 264.6
[M]- 576.31245 264.6
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.