CID 3038978

Brn 0630975

Structural Information

Molecular Formula
C23H25N3O2
SMILES
C1CN2CC3=C(CC2CN1CC4COC5=CC=CC=C5O4)C6=CC=CC=C6N3
InChI
InChI=1S/C23H25N3O2/c1-2-6-20-18(5-1)19-11-16-12-25(9-10-26(16)14-21(19)24-20)13-17-15-27-22-7-3-4-8-23(22)28-17/h1-8,16-17,24H,9-15H2
InChIKey
GLIWQTSMHSCSHM-UHFFFAOYSA-N
Compound name
6-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-3,6,17-triazatetracyclo[8.7.0.03,8.011,16]heptadeca-1(10),11,13,15-tetraene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

375.19467 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 376.20195 193.2
[M+Na]+ 398.18389 208.6
[M+NH4]+ 393.22849 202.5
[M+K]+ 414.15783 201.4
[M-H]- 374.18739 200.7
[M+Na-2H]- 396.16934 196.1
[M]+ 375.19412 197.7
[M]- 375.19522 197.7
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.