CID 14395307

18,19-dimethoxy-5,7-dioxa-13-azapentacyclo[10.7.1.02,10.04,8.016,20]icosa-1(20),2,4(8),9,16,18-hexaene-13-carbaldehyde

Structural Information

Molecular Formula
C20H19NO5
SMILES
COC1=C(C2=C3C(CC4=CC5=C(C=C42)OCO5)N(CCC3=C1)C=O)OC
InChI
InChI=1S/C20H19NO5/c1-23-17-6-11-3-4-21(9-22)14-5-12-7-15-16(26-10-25-15)8-13(12)19(18(11)14)20(17)24-2/h6-9,14H,3-5,10H2,1-2H3
InChIKey
VYUJQWBAAMYCTH-UHFFFAOYSA-N
Compound name
18,19-dimethoxy-5,7-dioxa-13-azapentacyclo[10.7.1.02,10.04,8.016,20]icosa-1(20),2,4(8),9,16,18-hexaene-13-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

1
Patents

353.1263 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 354.13358 179.1
[M+Na]+ 376.11552 187.7
[M-H]- 352.11902 185.3
[M+NH4]+ 371.16012 194.1
[M+K]+ 392.08946 185.8
[M+H-H2O]+ 336.12356 170.8
[M+HCOO]- 398.12450 191.3
[M+CH3COO]- 412.14015 189.6
[M+Na-2H]- 374.10097 183.6
[M]+ 353.12575 184.7
[M]- 353.12685 184.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe