CID 2132836

(benzoylmethyl)benzyldimethylammonium bromide

Structural Information

Molecular Formula
C17H20NO
SMILES
C[N+](C)(CC1=CC=CC=C1)CC(=O)C2=CC=CC=C2
InChI
InChI=1S/C17H20NO/c1-18(2,13-15-9-5-3-6-10-15)14-17(19)16-11-7-4-8-12-16/h3-12H,13-14H2,1-2H3/q+1
InChIKey
FLHOCQOTXLKNRD-UHFFFAOYSA-N
Compound name
benzyl-dimethyl-phenacylazanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

14
Patents

254.1545 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 255.16178 159.9
[M+Na]+ 277.14372 164.9
[M-H]- 253.14722 167.5
[M+NH4]+ 272.18832 176.6
[M+K]+ 293.11766 156.2
[M+H-H2O]+ 237.15176 154.8
[M+HCOO]- 299.15270 183.0
[M+CH3COO]- 313.16835 194.2
[M+Na-2H]- 275.12917 168.7
[M]+ 254.15395 159.1
[M]- 254.15505 159.1
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