CID 3009251

Dibenzyl(dimethoxy)[?]

Structural Information

Molecular Formula
C27H25N2O2
SMILES
COC1=C(C2=[N+](C=CC3=C2C(=C1)C=CN3CC4=CC=CC=C4)CC5=CC=CC=C5)OC
InChI
InChI=1S/C27H25N2O2/c1-30-24-17-22-13-15-28(18-20-9-5-3-6-10-20)23-14-16-29(19-21-11-7-4-8-12-21)26(25(22)23)27(24)31-2/h3-17H,18-19H2,1-2H3/q+1
InChIKey
PNHZFPHGEAUOSB-UHFFFAOYSA-N
Compound name
2,6-dibenzyl-11,12-dimethoxy-6-aza-2-azoniatricyclo[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

409.1916 Da
Monoisotopic Mass

5.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 410.19888 209.5
[M+Na]+ 432.18082 216.2
[M-H]- 408.18432 217.0
[M+NH4]+ 427.22542 218.3
[M+K]+ 448.15476 203.4
[M+H-H2O]+ 392.18886 198.2
[M+HCOO]- 454.18980 224.9
[M+CH3COO]- 468.20545 222.2
[M+Na-2H]- 430.16627 216.0
[M]+ 409.19105 211.5
[M]- 409.19215 211.5
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