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]+ 326.17508 173.9
[M+Na]+ 348.15702 183.1
[M-H]- 324.16052 178.0
[M+NH4]+ 343.20162 193.8
[M+K]+ 364.13096 177.6
[M+H-H2O]+ 308.16506 167.8
[M+HCOO]- 370.16600 190.3
[M+CH3COO]- 384.18165 213.6
[M+Na-2H]- 346.14247 178.2
[M]+ 325.16725 173.7
[M]- 325.16835 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.