CID 56841637

1h-xantheno[2,1,9-def]isoquinoline-1,3(2h)-dione, 2-amino-9-methoxy-

Structural Information

Molecular Formula
C19H12N2O4
SMILES
COC1=CC2=C(C=C1)OC3=CC=C4C5=C(C=CC2=C35)C(=O)N(C4=O)N
InChI
InChI=1S/C19H12N2O4/c1-24-9-2-6-14-13(8-9)10-3-4-11-16-12(19(23)21(20)18(11)22)5-7-15(25-14)17(10)16/h2-8H,20H2,1H3
InChIKey
GTRUASFUIDLKBE-UHFFFAOYSA-N
Compound name
14-amino-4-methoxy-8-oxa-14-azapentacyclo[10.6.2.02,7.09,19.016,20]icosa-1(19),2(7),3,5,9,11,16(20),17-octaene-13,15-dione
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

332.0797 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 333.08698 175.7
[M+Na]+ 355.06892 189.7
[M-H]- 331.07242 182.5
[M+NH4]+ 350.11352 191.3
[M+K]+ 371.04286 185.5
[M+H-H2O]+ 315.07696 165.6
[M+HCOO]- 377.07790 195.5
[M+CH3COO]- 391.09355 188.2
[M+Na-2H]- 353.05437 187.0
[M]+ 332.07915 185.0
[M]- 332.08025 185.0
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.