CID 3038962

Brn 0578516

Structural Information

Molecular Formula
C23H27N3O2
SMILES
C1CN2CC3=C(CC2CN1CC(COC4=CC=CC=C4)O)C5=CC=CC=C5N3
InChI
InChI=1S/C23H27N3O2/c27-18(16-28-19-6-2-1-3-7-19)14-25-10-11-26-15-23-21(12-17(26)13-25)20-8-4-5-9-22(20)24-23/h1-9,17-18,24,27H,10-16H2
InChIKey
MFYDVBYTEQDGEN-UHFFFAOYSA-N
Compound name
1-phenoxy-3-(3,6,17-triazatetracyclo[8.7.0.03,8.011,16]heptadeca-1(10),11,13,15-tetraen-6-yl)propan-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

377.21033 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 378.21761 193.4
[M+Na]+ 400.19955 206.6
[M+NH4]+ 395.24415 201.4
[M+K]+ 416.17349 200.0
[M-H]- 376.20305 196.8
[M+Na-2H]- 398.18500 197.6
[M]+ 377.20978 196.2
[M]- 377.21088 196.2
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.