CID 90433

24261-66-3

Structural Information

Molecular Formula
C17H19NO2
SMILES
COC1=CC=C(C=C1)C(=O)CCNCC2=CC=CC=C2
InChI
InChI=1S/C17H19NO2/c1-20-16-9-7-15(8-10-16)17(19)11-12-18-13-14-5-3-2-4-6-14/h2-10,18H,11-13H2,1H3
InChIKey
KAWUDWQTYZBDQL-UHFFFAOYSA-N
Compound name
3-(benzylamino)-1-(4-methoxyphenyl)propan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

269.14157 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 270.14885 163.2
[M+Na]+ 292.13079 168.4
[M-H]- 268.13429 169.3
[M+NH4]+ 287.17539 178.8
[M+K]+ 308.10473 164.8
[M+H-H2O]+ 252.13883 154.9
[M+HCOO]- 314.13977 187.2
[M+CH3COO]- 328.15542 201.1
[M+Na-2H]- 290.11624 168.1
[M]+ 269.14102 164.5
[M]- 269.14212 164.5
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