CID 3078195

Brn 3569759

Structural Information

Molecular Formula
C18H17NO7
SMILES
COC1=C(C(=C(C=C1)C2C3=C(COC3=O)NC4=C2C(=O)OC4)OC)OC
InChI
InChI=1S/C18H17NO7/c1-22-11-5-4-8(15(23-2)16(11)24-3)12-13-9(6-25-17(13)20)19-10-7-26-18(21)14(10)12/h4-5,12,19H,6-7H2,1-3H3
InChIKey
WAMLVWKPFOLSDP-UHFFFAOYSA-N
Compound name
8-(2,3,4-trimethoxyphenyl)-5,11-dioxa-2-azatricyclo[7.3.0.03,7]dodeca-1(9),3(7)-diene-6,10-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

359.1005 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 360.10778 178.3
[M+Na]+ 382.08972 188.0
[M-H]- 358.09322 186.7
[M+NH4]+ 377.13432 192.3
[M+K]+ 398.06366 187.1
[M+H-H2O]+ 342.09776 172.9
[M+HCOO]- 404.09870 194.7
[M+CH3COO]- 418.11435 213.6
[M+Na-2H]- 380.07517 178.6
[M]+ 359.09995 185.1
[M]- 359.10105 185.1
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

patents stripe