CID 57509383

84211-46-1

Structural Information

Molecular Formula
C20H36N4O8
SMILES
CC(=O)N(CCCCCNC(=O)CCC(=O)N(CCCCCNC(=O)CCC(=O)O)O)O
InChI
InChI=1S/C20H36N4O8/c1-16(25)23(31)14-6-2-4-12-21-17(26)8-10-19(28)24(32)15-7-3-5-13-22-18(27)9-11-20(29)30/h31-32H,2-15H2,1H3,(H,21,26)(H,22,27)(H,29,30)
InChIKey
VJQANBSDAGCDJE-UHFFFAOYSA-N
Compound name
4-[5-[[4-[5-[acetyl(hydroxy)amino]pentylamino]-4-oxobutanoyl]-hydroxyamino]pentylamino]-4-oxobutanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

460.25333 Da
Monoisotopic Mass

-1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 461.26061 222.3
[M+Na]+ 483.24255 235.2
[M-H]- 459.24605 232.4
[M+NH4]+ 478.28715 230.0
[M+K]+ 499.21649 227.2
[M+H-H2O]+ 443.25059 222.7
[M+HCOO]- 505.25153 215.1
[M+CH3COO]- 519.26718 243.3
[M+Na-2H]- 481.22800 213.7
[M]+ 460.25278 213.0
[M]- 460.25388 213.0
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.