CID 6447145

2-(methylaminobutoxy)stilbene hydrochloride

Structural Information

Molecular Formula
C19H23NO
SMILES
CNCCCCOC1=CC=CC=C1/C=C/C2=CC=CC=C2
InChI
InChI=1S/C19H23NO/c1-20-15-7-8-16-21-19-12-6-5-11-18(19)14-13-17-9-3-2-4-10-17/h2-6,9-14,20H,7-8,15-16H2,1H3/b14-13+
InChIKey
XKSIJOFIGMHPMK-BUHFOSPRSA-N
Compound name
N-methyl-4-[2-[(E)-2-phenylethenyl]phenoxy]butan-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

4
Patents

281.17798 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 282.18526 168.7
[M+Na]+ 304.16720 173.5
[M-H]- 280.17070 174.4
[M+NH4]+ 299.21180 184.1
[M+K]+ 320.14114 168.2
[M+H-H2O]+ 264.17524 160.1
[M+HCOO]- 326.17618 192.8
[M+CH3COO]- 340.19183 203.6
[M+Na-2H]- 302.15265 173.7
[M]+ 281.17743 169.8
[M]- 281.17853 169.8
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

patents stripe