CID 3048660

63917-54-4

Structural Information

Molecular Formula
C22H26N2O2
SMILES
COC1=CC2=C(CCC3=C(C2OC4CC5CCC(C4)N5)C=CC=N3)C=C1
InChI
InChI=1S/C22H26N2O2/c1-25-17-8-4-14-5-9-21-19(3-2-10-23-21)22(20(14)13-17)26-18-11-15-6-7-16(12-18)24-15/h2-4,8,10,13,15-16,18,22,24H,5-7,9,11-12H2,1H3
InChIKey
YFYVSRNSUJGOCJ-UHFFFAOYSA-N
Compound name
2-(8-azabicyclo[3.2.1]octan-3-yloxy)-14-methoxy-7-azatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

350.19943 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 351.206706 184.4
[M+Na]+ 373.188648 189.4
[M-H]- 349.192154 188.7
[M+NH4]+ 368.233253 198.4
[M+K]+ 389.162588 185.4
[M+H-H2O]+ 333.196690 176.2
[M+HCOO]- 395.197631 194.8
[M+CH3COO]- 409.213281 192.2
[M+Na-2H]- 371.174096 186.1
[M]+ 350.19888142 178.7
[M]- 350.19997858 178.7
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.