CID 129844040

Gamma-l-glutamylspermidine

Structural Information

Molecular Formula
C12H26N4O3
SMILES
C(CCNC(=O)CC[C@@H](C(=O)O)N)CNCCCN
InChI
InChI=1S/C12H26N4O3/c13-6-3-8-15-7-1-2-9-16-11(17)5-4-10(14)12(18)19/h10,15H,1-9,13-14H2,(H,16,17)(H,18,19)/t10-/m0/s1
InChIKey
UDSKGBFGTTXSBC-JTQLQIEISA-N
Compound name
(2S)-2-amino-5-[4-(3-aminopropylamino)butylamino]-5-oxopentanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

274.2005 Da
Monoisotopic Mass

-4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 275.20778 167.0
[M+Na]+ 297.18972 167.5
[M-H]- 273.19322 163.6
[M+NH4]+ 292.23432 180.1
[M+K]+ 313.16366 166.3
[M+H-H2O]+ 257.19776 159.1
[M+HCOO]- 319.19870 188.1
[M+CH3COO]- 333.21435 208.5
[M+Na-2H]- 295.17517 165.6
[M]+ 274.19995 164.0
[M]- 274.20105 164.0
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.