CID 68899

Prifuroline

Structural Information

Molecular Formula
C14H16N2O
SMILES
CN(C)C1=NCC(C1)C2=CC3=CC=CC=C3O2
InChI
InChI=1S/C14H16N2O/c1-16(2)14-8-11(9-15-14)13-7-10-5-3-4-6-12(10)17-13/h3-7,11H,8-9H2,1-2H3
InChIKey
IYMLHOSZPZHXCR-UHFFFAOYSA-N
Compound name
3-(1-benzofuran-2-yl)-N,N-dimethyl-3,4-dihydro-2H-pyrrol-5-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

52
Patents

228.12627 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 229.13355 150.4
[M+Na]+ 251.11549 159.6
[M-H]- 227.11899 159.6
[M+NH4]+ 246.16009 171.1
[M+K]+ 267.08943 158.1
[M+H-H2O]+ 211.12353 143.5
[M+HCOO]- 273.12447 175.8
[M+CH3COO]- 287.14012 164.8
[M+Na-2H]- 249.10094 155.0
[M]+ 228.12572 153.8
[M]- 228.12682 153.8
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

No patent data available for this compound.