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 186.4
[M+Na]+ 398.18389 192.2
[M-H]- 374.18739 190.8
[M+NH4]+ 393.22849 195.6
[M+K]+ 414.15783 186.3
[M+H-H2O]+ 358.19193 174.4
[M+HCOO]- 420.19287 192.6
[M+CH3COO]- 434.20852 193.4
[M+Na-2H]- 396.16934 189.2
[M]+ 375.19412 181.7
[M]- 375.19522 181.7
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.