CID 131751228

Z-clausenamide

Structural Information

Molecular Formula
C18H17NO2
SMILES
CN1/C=C\C2=CC=CC=C2C(C(C1=O)O)C3=CC=CC=C3
InChI
InChI=1S/C18H17NO2/c1-19-12-11-13-7-5-6-10-15(13)16(17(20)18(19)21)14-8-3-2-4-9-14/h2-12,16-17,20H,1H3/b12-11-
InChIKey
VRSSZILNAITUII-QXMHVHEDSA-N
Compound name
(1Z)-5-hydroxy-3-methyl-6-phenyl-5,6-dihydro-3-benzazocin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

279.12592 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 280.13320 161.8
[M+Na]+ 302.11514 167.2
[M-H]- 278.11864 164.3
[M+NH4]+ 297.15974 168.7
[M+K]+ 318.08908 165.7
[M+H-H2O]+ 262.12318 157.0
[M+HCOO]- 324.12412 170.0
[M+CH3COO]- 338.13977 166.2
[M+Na-2H]- 300.10059 161.6
[M]+ 279.12537 161.1
[M]- 279.12647 161.1
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