CID 3063181

2-propiononaphthone, 2-(isopropylamino)-, hydrochloride

Structural Information

Molecular Formula
C16H19NO
SMILES
CC(C)NC(C)C(=O)C1=CC2=CC=CC=C2C=C1
InChI
InChI=1S/C16H19NO/c1-11(2)17-12(3)16(18)15-9-8-13-6-4-5-7-14(13)10-15/h4-12,17H,1-3H3
InChIKey
RZEGAUHOOVLKOZ-UHFFFAOYSA-N
Compound name
1-naphthalen-2-yl-2-(propan-2-ylamino)propan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

9
References

0
Patents

241.14667 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 242.153946 156.9
[M+Na]+ 264.135888 162.2
[M-H]- 240.139394 160.9
[M+NH4]+ 259.180493 175.0
[M+K]+ 280.109828 159.2
[M+H-H2O]+ 224.143930 150.1
[M+HCOO]- 286.144871 177.4
[M+CH3COO]- 300.160521 199.6
[M+Na-2H]- 262.121336 160.6
[M]+ 241.14612142 156.6
[M]- 241.14721858 156.6
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

No patent data available for this compound.