CID 24883441

Pre-putrebactin

Structural Information

Molecular Formula
C16H30N4O7
SMILES
C(CCN(C(=O)CCC(=O)NCCCCN(C(=O)CCC(=O)O)O)O)CN
InChI
InChI=1S/C16H30N4O7/c17-9-1-3-11-19(26)14(22)6-5-13(21)18-10-2-4-12-20(27)15(23)7-8-16(24)25/h26-27H,1-12,17H2,(H,18,21)(H,24,25)
InChIKey
MMTPETIUERTJQL-UHFFFAOYSA-N
Compound name
4-[4-[[4-[4-aminobutyl(hydroxy)amino]-4-oxobutanoyl]amino]butyl-hydroxyamino]-4-oxobutanoic acid
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

1
References

0
Patents

390.21146 Da
Monoisotopic Mass

-4.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 391.21874 205.2
[M+Na]+ 413.20068 218.1
[M-H]- 389.20418 213.6
[M+NH4]+ 408.24528 209.5
[M+K]+ 429.17462 208.2
[M+H-H2O]+ 373.20872 183.3
[M+HCOO]- 435.20966 200.5
[M+CH3COO]- 449.22531 229.7
[M+Na-2H]- 411.18613 187.1
[M]+ 390.21091 195.0
[M]- 390.21201 195.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.