CID 66553681

13-hydroxy dechlorofontonamide

Structural Information

Molecular Formula
C20H23NO3
SMILES
C[C@]1(C=C2[C@H](C[C@H]1O)C(C3=C(C2=O)C(=CC=C3)NC=O)(C)C)C=C
InChI
InChI=1S/C20H23NO3/c1-5-20(4)10-12-14(9-16(20)23)19(2,3)13-7-6-8-15(21-11-22)17(13)18(12)24/h5-8,10-11,14,16,23H,1,9H2,2-4H3,(H,21,22)/t14-,16+,20+/m0/s1
InChIKey
YNEOQMQDVSEXCP-YYFZDKIDSA-N
Compound name
N-[(6R,7R,10aR)-7-ethenyl-6-hydroxy-7,10,10-trimethyl-9-oxo-6,10a-dihydro-5H-anthracen-1-yl]formamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

325.1678 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 326.175076 173.9
[M+Na]+ 348.157018 183.1
[M-H]- 324.160524 178.0
[M+NH4]+ 343.201623 193.8
[M+K]+ 364.130958 177.6
[M+H-H2O]+ 308.165060 167.8
[M+HCOO]- 370.166001 190.3
[M+CH3COO]- 384.181651 213.6
[M+Na-2H]- 346.142466 178.2
[M]+ 325.16725142 173.7
[M]- 325.16834858 173.7
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.