CID 160179

Perlolyrine

Structural Information

Molecular Formula
C16H12N2O2
SMILES
C1=CC=C2C(=C1)C3=C(N2)C(=NC=C3)C4=CC=C(O4)CO
InChI
InChI=1S/C16H12N2O2/c19-9-10-5-6-14(20-10)16-15-12(7-8-17-16)11-3-1-2-4-13(11)18-15/h1-8,18-19H,9H2
InChIKey
KFUCYPGCMLPUMT-UHFFFAOYSA-N
Compound name
[5-(9H-pyrido[3,4-b]indol-1-yl)furan-2-yl]methanol
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

15
References

195
Patents

264.08987 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 265.09715 157.0
[M+Na]+ 287.07909 173.4
[M+NH4]+ 282.12369 165.8
[M+K]+ 303.05303 169.6
[M-H]- 263.08259 161.9
[M+Na-2H]- 285.06454 164.7
[M]+ 264.08932 160.9
[M]- 264.09042 160.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe