CID 621307

Baptifoline

Structural Information

Molecular Formula
C15H20N2O2
SMILES
C1CN2CC3CC(C2CC1O)CN4C3=CC=CC4=O
InChI
InChI=1S/C15H20N2O2/c18-12-4-5-16-8-10-6-11(14(16)7-12)9-17-13(10)2-1-3-15(17)19/h1-3,10-12,14,18H,4-9H2
InChIKey
AOOCSKCGZYCEJX-UHFFFAOYSA-N
Compound name
12-hydroxy-7,15-diazatetracyclo[7.7.1.02,7.010,15]heptadeca-2,4-dien-6-one
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

1
References

5
Patents

260.15247 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 261.15975 160.7
[M+Na]+ 283.14169 173.3
[M+NH4]+ 278.18629 170.1
[M+K]+ 299.11563 165.6
[M-H]- 259.14519 162.2
[M+Na-2H]- 281.12714 162.2
[M]+ 260.15192 162.8
[M]- 260.15302 162.8
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