CID 443723

Lycoramine

Structural Information

Molecular Formula
C17H23NO3
SMILES
CN1CC[C@@]23CC[C@@H](C[C@@H]2OC4=C(C=CC(=C34)C1)OC)O
InChI
InChI=1S/C17H23NO3/c1-18-8-7-17-6-5-12(19)9-14(17)21-16-13(20-2)4-3-11(10-18)15(16)17/h3-4,12,14,19H,5-10H2,1-2H3/t12-,14-,17-/m0/s1
InChIKey
GJRMHIXYLGOZSE-JDFRZJQESA-N
Compound name
(1R,12S,14S)-9-methoxy-4-methyl-11-oxa-4-azatetracyclo[8.6.1.01,12.06,17]heptadeca-6(17),7,9-trien-14-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

22
References

326
Patents

289.1678 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 290.175076 167.7
[M+Na]+ 312.157018 173.5
[M-H]- 288.160524 172.7
[M+NH4]+ 307.201623 185.8
[M+K]+ 328.130958 172.7
[M+H-H2O]+ 272.165060 161.5
[M+HCOO]- 334.166001 179.4
[M+CH3COO]- 348.181651 177.7
[M+Na-2H]- 310.142466 170.8
[M]+ 289.16725142 164.4
[M]- 289.16834858 164.4
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