CID 361371

Nsc624397

Structural Information

Molecular Formula
C18H13NO7
SMILES
CC(=O)OC1=CC=CC2=C1NC(=O)C3=C(C4=C(C=C23)OCO4)OC(=O)C
InChI
InChI=1S/C18H13NO7/c1-8(20)25-12-5-3-4-10-11-6-13-16(24-7-23-13)17(26-9(2)21)14(11)18(22)19-15(10)12/h3-6H,7H2,1-2H3,(H,19,22)
InChIKey
NYNWTBYDXRGMNM-UHFFFAOYSA-N
Compound name
(7-acetyloxy-6-oxo-5H-[1,3]dioxolo[4,5-j]phenanthridin-4-yl) acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

355.0692 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 356.07648 175.7
[M+Na]+ 378.05842 186.5
[M-H]- 354.06192 182.1
[M+NH4]+ 373.10302 188.8
[M+K]+ 394.03236 185.6
[M+H-H2O]+ 338.06646 168.7
[M+HCOO]- 400.06740 192.1
[M+CH3COO]- 414.08305 212.0
[M+Na-2H]- 376.04387 180.9
[M]+ 355.06865 184.2
[M]- 355.06975 184.2
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.