CID 496347

Nsc686513

Structural Information

Molecular Formula
C19H20N2O9
SMILES
CC1=C(C(=O)C2=C(C1=O)N3CC(C(C3=C2COC(=O)N)OC(=O)C)OC(=O)C)OC
InChI
InChI=1S/C19H20N2O9/c1-7-15(24)14-12(16(25)17(7)27-4)10(6-28-19(20)26)13-18(30-9(3)23)11(5-21(13)14)29-8(2)22/h11,18H,5-6H2,1-4H3,(H2,20,26)
InChIKey
MRHZEXIWSNIANF-UHFFFAOYSA-N
Compound name
[3-acetyloxy-4-(carbamoyloxymethyl)-6-methoxy-7-methyl-5,8-dioxo-2,3-dihydro-1H-pyrrolo[1,2-a]indol-2-yl] acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

420.11688 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 421.12416 189.5
[M+Na]+ 443.10610 197.3
[M-H]- 419.10960 194.1
[M+NH4]+ 438.15070 203.7
[M+K]+ 459.08004 197.3
[M+H-H2O]+ 403.11414 184.8
[M+HCOO]- 465.11508 207.0
[M+CH3COO]- 479.13073 231.2
[M+Na-2H]- 441.09155 185.0
[M]+ 420.11633 198.4
[M]- 420.11743 198.4
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.