CID 28611810

Benzyl[(4-propoxyphenyl)methyl]amine hydrochloride

Structural Information

Molecular Formula
C17H21NO
SMILES
CCCOC1=CC=C(C=C1)CNCC2=CC=CC=C2
InChI
InChI=1S/C17H21NO/c1-2-12-19-17-10-8-16(9-11-17)14-18-13-15-6-4-3-5-7-15/h3-11,18H,2,12-14H2,1H3
InChIKey
DZCLENQZULZVDR-UHFFFAOYSA-N
Compound name
1-phenyl-N-[(4-propoxyphenyl)methyl]methanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

255.16231 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 256.16959 160.5
[M+Na]+ 278.15153 165.8
[M-H]- 254.15503 166.5
[M+NH4]+ 273.19613 176.9
[M+K]+ 294.12547 161.6
[M+H-H2O]+ 238.15957 152.2
[M+HCOO]- 300.16051 185.1
[M+CH3COO]- 314.17616 199.1
[M+Na-2H]- 276.13698 166.6
[M]+ 255.16176 161.6
[M]- 255.16286 161.6
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.