CID 174156

78697-25-3

Structural Information

Molecular Formula
C17H20NO
SMILES
C[N+](C)(C)CC1=CC=C(C=C1)C(=O)C2=CC=CC=C2
InChI
InChI=1S/C17H20NO/c1-18(2,3)13-14-9-11-16(12-10-14)17(19)15-7-5-4-6-8-15/h4-12H,13H2,1-3H3/q+1
InChIKey
AKMXALUKLMSKMK-UHFFFAOYSA-N
Compound name
(4-benzoylphenyl)methyl-trimethylazanium
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

1
References

2958
Patents

254.1545 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 255.16178 159.1
[M+Na]+ 277.14372 165.1
[M-H]- 253.14722 167.2
[M+NH4]+ 272.18832 176.2
[M+K]+ 293.11766 156.5
[M+H-H2O]+ 237.15176 154.3
[M+HCOO]- 299.15270 182.3
[M+CH3COO]- 313.16835 195.2
[M+Na-2H]- 275.12917 167.4
[M]+ 254.15395 158.7
[M]- 254.15505 158.7
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