CID 468793

N-dodecylamino-1-deoxylactitol

Structural Information

Molecular Formula
C24H49NO10
SMILES
CCCCCCCCCCCCNCC(C(C(C(CO)O)OC1C(C(C(C(O1)CO)O)O)O)O)O
InChI
InChI=1S/C24H49NO10/c1-2-3-4-5-6-7-8-9-10-11-12-25-13-16(28)19(30)23(17(29)14-26)35-24-22(33)21(32)20(31)18(15-27)34-24/h16-33H,2-15H2,1H3
InChIKey
CSYHGFNDWGJGOR-UHFFFAOYSA-N
Compound name
6-(dodecylamino)-3-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyhexane-1,2,4,5-tetrol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

511.33563 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 512.34291 224.4
[M+Na]+ 534.32485 218.9
[M-H]- 510.32835 226.8
[M+NH4]+ 529.36945 221.9
[M+K]+ 550.29879 218.5
[M+H-H2O]+ 494.33289 216.2
[M+HCOO]- 556.33383 228.9
[M+CH3COO]- 570.34948 236.0
[M+Na-2H]- 532.31030 213.7
[M]+ 511.33508 220.5
[M]- 511.33618 220.5
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