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 176.6
[M+Na]+ 372.11660 185.4
[M-H]- 348.12010 180.2
[M+NH4]+ 367.16120 193.3
[M+K]+ 388.09054 182.9
[M+H-H2O]+ 332.12464 171.6
[M+HCOO]- 394.12558 195.8
[M+CH3COO]- 408.14123 219.5
[M+Na-2H]- 370.10205 174.7
[M]+ 349.12683 180.5
[M]- 349.12793 180.5
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.