CID 91576267

Gamma-l-glutamylspermine

Structural Information

Molecular Formula
C15H33N5O3
SMILES
C(CCNCCCNC(=O)CC[C@@H](C(=O)O)N)CNCCCN
InChI
InChI=1S/C15H33N5O3/c16-7-3-10-18-8-1-2-9-19-11-4-12-20-14(21)6-5-13(17)15(22)23/h13,18-19H,1-12,16-17H2,(H,20,21)(H,22,23)/t13-/m0/s1
InChIKey
ONKGWWXHTADVND-ZDUSSCGKSA-N
Compound name
(2S)-2-amino-5-[3-[4-(3-aminopropylamino)butylamino]propylamino]-5-oxopentanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

331.25833 Da
Monoisotopic Mass

-4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 332.26561 180.6
[M+Na]+ 354.24755 179.0
[M-H]- 330.25105 176.7
[M+NH4]+ 349.29215 191.0
[M+K]+ 370.22149 177.5
[M+H-H2O]+ 314.25559 171.5
[M+HCOO]- 376.25653 201.7
[M+CH3COO]- 390.27218 223.0
[M+Na-2H]- 352.23300 178.3
[M]+ 331.25778 177.9
[M]- 331.25888 177.9
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.