CID 202729

13164-91-5

Structural Information

Molecular Formula
C16H19N3O6
SMILES
CC1=C(C(=O)C2=C(C1=O)N3CC(C(C3=C2COC(=O)N)O)NC)OC
InChI
InChI=1S/C16H19N3O6/c1-6-12(20)11-9(14(22)15(6)24-3)7(5-25-16(17)23)10-13(21)8(18-2)4-19(10)11/h8,13,18,21H,4-5H2,1-3H3,(H2,17,23)
InChIKey
KEDRKYOEEMEGGD-UHFFFAOYSA-N
Compound name
[3-hydroxy-6-methoxy-7-methyl-2-(methylamino)-5,8-dioxo-2,3-dihydro-1H-pyrrolo[1,2-a]indol-4-yl]methyl carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

349.12738 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 350.13466 179.2
[M+Na]+ 372.11660 185.7
[M+NH4]+ 367.16120 183.2
[M+K]+ 388.09054 187.2
[M-H]- 348.12010 177.9
[M+Na-2H]- 370.10205 176.4
[M]+ 349.12683 178.9
[M]- 349.12793 178.9
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.