CID 57831

100365-96-6

Structural Information

Molecular Formula
C18H22N2O2
SMILES
C1CCN(C1)CCC(=O)C2CCC3=C(C2)C4=C(O3)C=CN=C4
InChI
InChI=1S/C18H22N2O2/c21-16(6-10-20-8-1-2-9-20)13-3-4-17-14(11-13)15-12-19-7-5-18(15)22-17/h5,7,12-13H,1-4,6,8-11H2
InChIKey
MVIITNOQHHLALA-UHFFFAOYSA-N
Compound name
3-pyrrolidin-1-yl-1-(6,7,8,9-tetrahydro-[1]benzofuro[3,2-c]pyridin-8-yl)propan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

298.16812 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 299.175396 170.2
[M+Na]+ 321.157338 176.2
[M-H]- 297.160844 175.9
[M+NH4]+ 316.201943 186.4
[M+K]+ 337.131278 172.7
[M+H-H2O]+ 281.165380 161.9
[M+HCOO]- 343.166321 185.9
[M+CH3COO]- 357.181971 180.6
[M+Na-2H]- 319.142786 170.7
[M]+ 298.16757142 169.3
[M]- 298.16866858 169.3
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.