CID 71592240

18,19-dimethoxy-5,7-dioxa-13-azapentacyclo[10.7.1.02,10.04,8.016,20]icosa-1,3,8,10,12(20),16,18-heptaene-13-carbaldehyde

Structural Information

Molecular Formula
C20H17NO5
SMILES
COC1=C(C2=C3C=C4C(=CC3=CC5=C2C(=C1)CCN5C=O)OCO4)OC
InChI
InChI=1S/C20H17NO5/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/h5-9H,3-4,10H2,1-2H3
InChIKey
WDTKXSGDOGKYMY-UHFFFAOYSA-N
Compound name
18,19-dimethoxy-5,7-dioxa-13-azapentacyclo[10.7.1.02,10.04,8.016,20]icosa-1,3,8,10,12(20),16,18-heptaene-13-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

351.1107 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 352.11798 178.3
[M+Na]+ 374.09992 188.9
[M-H]- 350.10342 185.4
[M+NH4]+ 369.14452 193.6
[M+K]+ 390.07386 186.8
[M+H-H2O]+ 334.10796 169.9
[M+HCOO]- 396.10890 193.3
[M+CH3COO]- 410.12455 189.9
[M+Na-2H]- 372.08537 184.6
[M]+ 351.11015 186.7
[M]- 351.11125 186.7
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.