CID 44237228

N-citryl-spermidine

Structural Information

Molecular Formula
C13H25N3O6
SMILES
C(CCNC(=O)CC(CC(=O)O)(C(=O)O)O)CNCCCN
InChI
InChI=1S/C13H25N3O6/c14-4-3-6-15-5-1-2-7-16-10(17)8-13(22,12(20)21)9-11(18)19/h15,22H,1-9,14H2,(H,16,17)(H,18,19)(H,20,21)
InChIKey
JJVVKHQEFSESNM-UHFFFAOYSA-N
Compound name
2-[2-[4-(3-aminopropylamino)butylamino]-2-oxoethyl]-2-hydroxybutanedioic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

2
Patents

319.17435 Da
Monoisotopic Mass

-7.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 320.18163 173.0
[M+Na]+ 342.16357 173.3
[M-H]- 318.16707 167.3
[M+NH4]+ 337.20817 183.3
[M+K]+ 358.13751 172.2
[M+H-H2O]+ 302.17161 166.0
[M+HCOO]- 364.17255 189.7
[M+CH3COO]- 378.18820 208.4
[M+Na-2H]- 340.14902 172.4
[M]+ 319.17380 171.5
[M]- 319.17490 171.5
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

patents stripe