CID 57493771

Benzedrone

Structural Information

Molecular Formula
C17H19NO
SMILES
CC1=CC=C(C=C1)C(=O)C(C)NCC2=CC=CC=C2
InChI
InChI=1S/C17H19NO/c1-13-8-10-16(11-9-13)17(19)14(2)18-12-15-6-4-3-5-7-15/h3-11,14,18H,12H2,1-2H3
InChIKey
KWHZRPBDEAQYDE-UHFFFAOYSA-N
Compound name
2-(benzylamino)-1-(4-methylphenyl)propan-1-one
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

10
Patents

253.14667 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 254.15395 160.2
[M+Na]+ 276.13589 165.3
[M-H]- 252.13939 166.5
[M+NH4]+ 271.18049 176.5
[M+K]+ 292.10983 161.5
[M+H-H2O]+ 236.14393 152.3
[M+HCOO]- 298.14487 183.0
[M+CH3COO]- 312.16052 199.9
[M+Na-2H]- 274.12134 163.9
[M]+ 253.14612 159.5
[M]- 253.14722 159.5
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.