CID 34772

40077-13-2

Structural Information

Molecular Formula
C19H21NO2
SMILES
C1CC2=CC=CC=C2C(=O)C1CNCCC3=CC=C(C=C3)O
InChI
InChI=1S/C19H21NO2/c21-17-9-5-14(6-10-17)11-12-20-13-16-8-7-15-3-1-2-4-18(15)19(16)22/h1-6,9-10,16,20-21H,7-8,11-13H2
InChIKey
PZZOEXPDTYIBPI-UHFFFAOYSA-N
Compound name
2-[[2-(4-hydroxyphenyl)ethylamino]methyl]-3,4-dihydro-2H-naphthalen-1-one
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

139
References

11698
Patents

295.15723 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 296.16451 168.6
[M+Na]+ 318.14645 174.0
[M-H]- 294.14995 174.1
[M+NH4]+ 313.19105 183.8
[M+K]+ 334.12039 168.3
[M+H-H2O]+ 278.15449 160.4
[M+HCOO]- 340.15543 188.3
[M+CH3COO]- 354.17108 204.6
[M+Na-2H]- 316.13190 173.1
[M]+ 295.15668 166.0
[M]- 295.15778 166.0
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