CID 73404

Hydroxylupanine

Structural Information

Molecular Formula
C15H24N2O2
SMILES
C1C[C@@H]2[C@H]3C[C@@H](CN2C(=O)C1)[C@@H]4C[C@H](CCN4C3)O
InChI
InChI=1S/C15H24N2O2/c18-12-4-5-16-8-10-6-11(14(16)7-12)9-17-13(10)2-1-3-15(17)19/h10-14,18H,1-9H2/t10-,11-,12-,13+,14-/m0/s1
InChIKey
JVYKIBAJVKEZSQ-YHQUGGNUSA-N
Compound name
(1S,2R,9S,10S,12S)-12-hydroxy-7,15-diazatetracyclo[7.7.1.02,7.010,15]heptadecan-6-one
Related CIDs

2D Structure

compound 2d structure
5
Annotation Hits

6
References

109
Patents

264.18378 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 265.191056 162.1
[M+Na]+ 287.172998 165.1
[M-H]- 263.176504 160.1
[M+NH4]+ 282.217603 178.2
[M+K]+ 303.146938 160.4
[M+H-H2O]+ 247.181040 153.4
[M+HCOO]- 309.181981 166.6
[M+CH3COO]- 323.197631 169.3
[M+Na-2H]- 285.158446 164.5
[M]+ 264.18323142 151.9
[M]- 264.18432858 151.9
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

patents stripe