CID 70378439

Secodemethylclausenamide

Structural Information

Molecular Formula
C17H19NO3
SMILES
C1=CC=C(C=C1)CCNC(=O)C(C(C2=CC=CC=C2)O)O
InChI
InChI=1S/C17H19NO3/c19-15(14-9-5-2-6-10-14)16(20)17(21)18-12-11-13-7-3-1-4-8-13/h1-10,15-16,19-20H,11-12H2,(H,18,21)
InChIKey
BXCFCVVLKIBDIH-UHFFFAOYSA-N
Compound name
2,3-dihydroxy-3-phenyl-N-(2-phenylethyl)propanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

285.1365 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 286.14378 167.4
[M+Na]+ 308.12572 170.1
[M-H]- 284.12922 170.5
[M+NH4]+ 303.17032 180.4
[M+K]+ 324.09966 166.5
[M+H-H2O]+ 268.13376 159.4
[M+HCOO]- 330.13470 186.6
[M+CH3COO]- 344.15035 198.3
[M+Na-2H]- 306.11117 169.6
[M]+ 285.13595 164.6
[M]- 285.13705 164.6
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

patents stripe