CID 121351

Brn 0505008

Structural Information

Molecular Formula
C20H21N3O9
SMILES
CC1=C(C(=O)C2=C(C1=O)N3CC(C(C3=C2COC(=O)N)OC(=O)C)NC(=O)C)OC(=O)C
InChI
InChI=1S/C20H21N3O9/c1-7-16(27)15-13(17(28)18(7)31-9(3)25)11(6-30-20(21)29)14-19(32-10(4)26)12(5-23(14)15)22-8(2)24/h12,19H,5-6H2,1-4H3,(H2,21,29)(H,22,24)
InChIKey
WQKDYRXYLFPPHH-UHFFFAOYSA-N
Compound name
[2-acetamido-6-acetyloxy-4-(carbamoyloxymethyl)-7-methyl-5,8-dioxo-2,3-dihydro-1H-pyrrolo[1,2-a]indol-3-yl] acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

447.12778 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 448.13506 196.0
[M+Na]+ 470.11700 202.3
[M-H]- 446.12050 200.5
[M+NH4]+ 465.16160 208.6
[M+K]+ 486.09094 202.6
[M+H-H2O]+ 430.12504 191.2
[M+HCOO]- 492.12598 213.3
[M+CH3COO]- 506.14163 239.5
[M+Na-2H]- 468.10245 190.9
[M]+ 447.12723 203.1
[M]- 447.12833 203.1
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

No patent data available for this compound.