CID 386981

Nsc680292

Structural Information

Molecular Formula
C17H17NO4
SMILES
COC1=C(C2=C3C(=C1)CCN4C3=C(CCC4)C(=O)C2=O)OC
InChI
InChI=1S/C17H17NO4/c1-21-11-8-9-5-7-18-6-3-4-10-14(18)12(9)13(17(11)22-2)16(20)15(10)19/h8H,3-7H2,1-2H3
InChIKey
VMUFXODGFRIDFQ-UHFFFAOYSA-N
Compound name
6,7-dimethoxy-1-azatetracyclo[6.6.2.04,16.011,15]hexadeca-4,6,8(16),11(15)-tetraene-9,10-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

299.11575 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 300.123026 167.0
[M+Na]+ 322.104968 174.8
[M-H]- 298.108474 169.9
[M+NH4]+ 317.149573 184.4
[M+K]+ 338.078908 171.3
[M+H-H2O]+ 282.113010 158.5
[M+HCOO]- 344.113951 180.3
[M+CH3COO]- 358.129601 209.4
[M+Na-2H]- 320.090416 171.9
[M]+ 299.11520142 169.3
[M]- 299.11629858 169.3
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.