CID 3058528

75370-49-9

Structural Information

Molecular Formula
C18H17NO4
SMILES
COC1=CC23CC(CC4=CC5=C(C=C42)OCO5)NCC3=CC1=O
InChI
InChI=1S/C18H17NO4/c1-21-17-7-18-6-12(19-8-11(18)4-14(17)20)2-10-3-15-16(5-13(10)18)23-9-22-15/h3-5,7,12,19H,2,6,8-9H2,1H3
InChIKey
REXHYCRVBXIMFJ-UHFFFAOYSA-N
Compound name
18-methoxy-5,7-dioxa-13-azapentacyclo[10.7.1.01,15.02,10.04,8]icosa-2,4(8),9,15,18-pentaen-17-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

311.11575 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 312.12303 171.3
[M+Na]+ 334.10497 184.3
[M+NH4]+ 329.14957 182.0
[M+K]+ 350.07891 177.4
[M-H]- 310.10847 176.0
[M+Na-2H]- 332.09042 172.7
[M]+ 311.11520 174.7
[M]- 311.11630 174.7
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.