CID 14589030

Ns00094231

Structural Information

Molecular Formula
C15H24N2O3
SMILES
C1C[C@@H](C(=O)N2[C@H]1[C@H]3C[C@@H](C2)[C@@H]4C[C@H](CCN4C3)O)O
InChI
InChI=1S/C15H24N2O3/c18-11-3-4-16-7-9-5-10(13(16)6-11)8-17-12(9)1-2-14(19)15(17)20/h9-14,18-19H,1-8H2/t9-,10-,11-,12+,13-,14-/m0/s1
InChIKey
XQOAPEVXJVZPHW-GAURVVSWSA-N
Compound name
(1S,2R,5S,9S,10S,12S)-5,12-dihydroxy-7,15-diazatetracyclo[7.7.1.02,7.010,15]heptadecan-6-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

280.17868 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 281.185956 165.7
[M+Na]+ 303.167898 169.1
[M-H]- 279.171404 162.7
[M+NH4]+ 298.212503 180.8
[M+K]+ 319.141838 164.3
[M+H-H2O]+ 263.175940 157.6
[M+HCOO]- 325.176881 168.8
[M+CH3COO]- 339.192531 172.5
[M+Na-2H]- 301.153346 167.4
[M]+ 280.17813142 155.8
[M]- 280.17922858 155.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.