CID 14314375

Dechlorofontonamide

Structural Information

Molecular Formula
C20H23NO2
SMILES
C[C@@]1(CC[C@H]2C(=C1)C(=O)C3=C(C2(C)C)C=CC=C3NC=O)C=C
InChI
InChI=1S/C20H23NO2/c1-5-20(4)10-9-14-13(11-20)18(23)17-15(19(14,2)3)7-6-8-16(17)21-12-22/h5-8,11-12,14H,1,9-10H2,2-4H3,(H,21,22)/t14-,20-/m0/s1
InChIKey
XZRPXEKKESPHHS-XOBRGWDASA-N
Compound name
N-[(7R,10aR)-7-ethenyl-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

309.17288 Da
Monoisotopic Mass

5.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 310.18016 170.8
[M+Na]+ 332.16210 179.7
[M-H]- 308.16560 176.1
[M+NH4]+ 327.20670 191.9
[M+K]+ 348.13604 174.2
[M+H-H2O]+ 292.17014 164.2
[M+HCOO]- 354.17108 188.7
[M+CH3COO]- 368.18673 212.4
[M+Na-2H]- 330.14755 175.9
[M]+ 309.17233 170.4
[M]- 309.17343 170.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.