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]+ 300.12303 167.0
[M+Na]+ 322.10497 174.8
[M-H]- 298.10847 169.9
[M+NH4]+ 317.14957 184.4
[M+K]+ 338.07891 171.3
[M+H-H2O]+ 282.11301 158.5
[M+HCOO]- 344.11395 180.3
[M+CH3COO]- 358.12960 209.4
[M+Na-2H]- 320.09042 171.9
[M]+ 299.11520 169.3
[M]- 299.11630 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.