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 184.7
[M+Na]+ 375.16790 192.7
[M-H]- 351.17140 187.4
[M+NH4]+ 370.21250 203.1
[M+K]+ 391.14184 186.1
[M+H-H2O]+ 335.17594 176.8
[M+HCOO]- 397.17688 196.4
[M+CH3COO]- 411.19253 193.8
[M+Na-2H]- 373.15335 185.5
[M]+ 352.17813 184.9
[M]- 352.17923 184.9
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.