CID 2060437

477334-06-8

Structural Information

Molecular Formula
C20H18ClNO
SMILES
CC1=C(C=C(C=C1)NCCC(=O)C2=CC3=CC=CC=C3C=C2)Cl
InChI
InChI=1S/C20H18ClNO/c1-14-6-9-18(13-19(14)21)22-11-10-20(23)17-8-7-15-4-2-3-5-16(15)12-17/h2-9,12-13,22H,10-11H2,1H3
InChIKey
LQXGTYOZRAJOTM-UHFFFAOYSA-N
Compound name
3-(3-chloro-4-methylanilino)-1-naphthalen-2-ylpropan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

323.1077 Da
Monoisotopic Mass

6.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 324.11498 175.7
[M+Na]+ 346.09692 183.8
[M-H]- 322.10042 182.9
[M+NH4]+ 341.14152 191.4
[M+K]+ 362.07086 176.5
[M+H-H2O]+ 306.10496 167.9
[M+HCOO]- 368.10590 193.6
[M+CH3COO]- 382.12155 186.8
[M+Na-2H]- 344.08237 180.1
[M]+ 323.10715 178.5
[M]- 323.10825 178.5
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.