CID 5993208

1-keto-9-methoxyjulolidine azine

Structural Information

Molecular Formula
C26H30N4O2
SMILES
COC1=CC2=C3N(CC/C(=N\N=C/4\C5=CC(=CC6=C5N(CC4)CCC6)OC)/C3=C1)CCC2
InChI
InChI=1S/C26H30N4O2/c1-31-19-13-17-5-3-9-29-11-7-23(21(15-19)25(17)29)27-28-24-8-12-30-10-4-6-18-14-20(32-2)16-22(24)26(18)30/h13-16H,3-12H2,1-2H3/b27-23+,28-24+
InChIKey
NLDRFMWFQSBDPN-LMCGJEQXSA-N
Compound name
(E)-7-methoxy-N-[(E)-(7-methoxy-1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-trien-4-ylidene)amino]-1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-trien-4-imine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

430.23688 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 431.24416 205.6
[M+Na]+ 453.22610 218.7
[M+NH4]+ 448.27070 215.0
[M+K]+ 469.20004 208.3
[M-H]- 429.22960 212.0
[M+Na-2H]- 451.21155 208.5
[M]+ 430.23633 209.2
[M]- 430.23743 209.2
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.