CID 16078199

(.alpha..beta.).alpha.ads

Structural Information

Molecular Formula
C14H31N5O7
SMILES
C(CO[C@@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CN)O[C@@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CN)O)O)N)O)N)N
InChI
InChI=1S/C14H31N5O7/c15-1-2-23-13-8(19)11(22)12(6(4-17)25-13)26-14-7(18)10(21)9(20)5(3-16)24-14/h5-14,20-22H,1-4,15-19H2/t5-,6-,7-,8-,9-,10-,11-,12-,13+,14-/m1/s1
InChIKey
LDXWPOCTGGYYNY-OLYDTGNASA-N
Compound name
(2R,3S,4R,5R,6R)-5-amino-6-[(2R,3S,4R,5R,6S)-5-amino-6-(2-aminoethoxy)-2-(aminomethyl)-4-hydroxyoxan-3-yl]oxy-2-(aminomethyl)oxane-3,4-diol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

381.22235 Da
Monoisotopic Mass

-6.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 382.22963 193.5
[M+Na]+ 404.21157 195.0
[M-H]- 380.21507 194.6
[M+NH4]+ 399.25617 198.2
[M+K]+ 420.18551 195.3
[M+H-H2O]+ 364.21961 184.3
[M+HCOO]- 426.22055 205.4
[M+CH3COO]- 440.23620 231.5
[M+Na-2H]- 402.19702 188.0
[M]+ 381.22180 185.3
[M]- 381.22290 185.3
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.