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]+ 351.20671 184.4
[M+Na]+ 373.18865 189.4
[M-H]- 349.19215 188.7
[M+NH4]+ 368.23325 198.4
[M+K]+ 389.16259 185.4
[M+H-H2O]+ 333.19669 176.2
[M+HCOO]- 395.19763 194.8
[M+CH3COO]- 409.21328 192.2
[M+Na-2H]- 371.17410 186.1
[M]+ 350.19888 178.7
[M]- 350.19998 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.