CID 3001010

Nsc632943

Structural Information

Molecular Formula
C16H24N2O10
SMILES
CCOC(=O)/C(=C(\C(=O)OC)/CC/C(=C(\ON)/C(=O)OCC)/C(=O)OC)/ON
InChI
InChI=1S/C16H24N2O10/c1-5-25-15(21)11(27-17)9(13(19)23-3)7-8-10(14(20)24-4)12(28-18)16(22)26-6-2/h5-8,17-18H2,1-4H3/b11-9+,12-10+
InChIKey
CEYNALJCYYGZFC-WGDLNXRISA-N
Compound name
1-O,6-O-diethyl 2-O,5-O-dimethyl (1E,5E)-1,6-diaminooxyhexa-1,5-diene-1,2,5,6-tetracarboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

404.1431 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 405.15038 194.8
[M+Na]+ 427.13232 207.4
[M-H]- 403.13582 205.4
[M+NH4]+ 422.17692 208.4
[M+K]+ 443.10626 198.9
[M+H-H2O]+ 387.14036 199.1
[M+HCOO]- 449.14130 192.5
[M+CH3COO]- 463.15695 225.5
[M+Na-2H]- 425.11777 190.1
[M]+ 404.14255 190.6
[M]- 404.14365 190.6
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.