CID 6448626

Brn 5835518

Structural Information

Molecular Formula
C15H24N4O8
SMILES
C(CCC(=O)C(CN)(/N=C/C(=O)O)O)CCC(=O)C(CN)(/N=C\C(=O)O)O
InChI
InChI=1S/C15H24N4O8/c16-8-14(26,18-6-12(22)23)10(20)4-2-1-3-5-11(21)15(27,9-17)19-7-13(24)25/h6-7,26-27H,1-5,8-9,16-17H2,(H,22,23)(H,24,25)/b18-6-,19-7+
InChIKey
ZLDUGBDBIBRBKP-BGOPHSEASA-N
Compound name
(2E)-2-[1,11-diamino-10-[(Z)-carboxymethylideneamino]-2,10-dihydroxy-3,9-dioxoundecan-2-yl]iminoacetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

388.15942 Da
Monoisotopic Mass

-7.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 389.16670 177.7
[M+Na]+ 411.14864 188.8
[M-H]- 387.15214 189.5
[M+NH4]+ 406.19324 180.0
[M+K]+ 427.12258 179.4
[M+H-H2O]+ 371.15668 171.9
[M+HCOO]- 433.15762 179.3
[M+CH3COO]- 447.17327 224.7
[M+Na-2H]- 409.13409 171.3
[M]+ 388.15887 168.7
[M]- 388.15997 168.7
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.