CID 10424832

Secoclausenamide

Structural Information

Molecular Formula
C18H21NO3
SMILES
CN(CCC1=CC=CC=C1)C(=O)C(C(C2=CC=CC=C2)O)O
InChI
InChI=1S/C18H21NO3/c1-19(13-12-14-8-4-2-5-9-14)18(22)17(21)16(20)15-10-6-3-7-11-15/h2-11,16-17,20-21H,12-13H2,1H3
InChIKey
NCIQCBQQKSZYHT-UHFFFAOYSA-N
Compound name
2,3-dihydroxy-N-methyl-3-phenyl-N-(2-phenylethyl)propanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

299.15213 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 300.15941 172.1
[M+Na]+ 322.14135 174.5
[M-H]- 298.14485 176.4
[M+NH4]+ 317.18595 185.1
[M+K]+ 338.11529 172.1
[M+H-H2O]+ 282.14939 163.8
[M+HCOO]- 344.15033 191.4
[M+CH3COO]- 358.16598 204.6
[M+Na-2H]- 320.12680 173.0
[M]+ 299.15158 170.9
[M]- 299.15268 170.9
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