CID 3053663

Brn 0629114

Structural Information

Molecular Formula
C21H24N2O3
SMILES
COC1=CC2=C(C=C1)NC3C24CCNC4CC5=CC(=C(C=C35)OC)OC
InChI
InChI=1S/C21H24N2O3/c1-24-13-4-5-16-15(10-13)21-6-7-22-19(21)9-12-8-17(25-2)18(26-3)11-14(12)20(21)23-16/h4-5,8,10-11,19-20,22-23H,6-7,9H2,1-3H3
InChIKey
LEOZWLCVWWYEIO-UHFFFAOYSA-N
Compound name
9,10,18-trimethoxy-4,14-diazapentacyclo[11.7.0.01,5.07,12.015,20]icosa-7,9,11,15(20),16,18-hexaene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

352.17868 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 353.18596 185.0
[M+Na]+ 375.16790 196.6
[M+NH4]+ 370.21250 194.9
[M+K]+ 391.14184 191.0
[M-H]- 351.17140 186.9
[M+Na-2H]- 373.15335 187.1
[M]+ 352.17813 187.2
[M]- 352.17923 187.2
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.