CID 44149553

Px6rmw85p3

Structural Information

Molecular Formula
C19H22ClNO2
SMILES
CC1=C(C2=C(COC2)C(=N1)CC3=CC=CC=C3)OCCCCCl
InChI
InChI=1S/C19H22ClNO2/c1-14-19(23-10-6-5-9-20)17-13-22-12-16(17)18(21-14)11-15-7-3-2-4-8-15/h2-4,7-8H,5-6,9-13H2,1H3
InChIKey
IMKUBGIAGNRTLM-UHFFFAOYSA-N
Compound name
4-benzyl-7-(4-chlorobutoxy)-6-methyl-1,3-dihydrofuro[3,4-c]pyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

331.1339 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 332.141176 180.1
[M+Na]+ 354.123118 188.3
[M-H]- 330.126624 186.3
[M+NH4]+ 349.167723 195.1
[M+K]+ 370.097058 183.1
[M+H-H2O]+ 314.131160 172.0
[M+HCOO]- 376.132101 195.3
[M+CH3COO]- 390.147751 191.0
[M+Na-2H]- 352.108566 182.4
[M]+ 331.13335142 186.1
[M]- 331.13444858 186.1
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.