CID 11210228

Schembl6401926

Structural Information

Molecular Formula
C21H20N2O3
SMILES
COC1=CC=C(C=C1)CN2C=CC3=CC(=C(C4=NC=CC2=C34)OC)OC
InChI
InChI=1S/C21H20N2O3/c1-24-16-6-4-14(5-7-16)13-23-11-9-15-12-18(25-2)21(26-3)20-19(15)17(23)8-10-22-20/h4-12H,13H2,1-3H3
InChIKey
LOENHZQZTMYTPF-UHFFFAOYSA-N
Compound name
11,12-dimethoxy-6-[(4-methoxyphenyl)methyl]-2,6-diazatricyclo[7.3.1.05,13]trideca-1,3,5(13),7,9,11-hexaene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

1
Patents

348.1474 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 349.15468 185.6
[M+Na]+ 371.13662 194.6
[M-H]- 347.14012 190.7
[M+NH4]+ 366.18122 198.2
[M+K]+ 387.11056 189.6
[M+H-H2O]+ 331.14466 174.3
[M+HCOO]- 393.14560 203.0
[M+CH3COO]- 407.16125 195.7
[M+Na-2H]- 369.12207 191.6
[M]+ 348.14685 191.6
[M]- 348.14795 191.6
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