CID 205578

18235-63-7

Structural Information

Molecular Formula
C15H17N3O5
SMILES
CC1=C(C(=O)C2=C(C1=O)N3CC(C(C3=C2CO)O)NC(=O)C)N
InChI
InChI=1S/C15H17N3O5/c1-5-10(16)15(23)9-7(4-19)11-14(22)8(17-6(2)20)3-18(11)12(9)13(5)21/h8,14,19,22H,3-4,16H2,1-2H3,(H,17,20)
InChIKey
NAFYXMBDMSTBSY-UHFFFAOYSA-N
Compound name
N-[6-amino-3-hydroxy-4-(hydroxymethyl)-7-methyl-5,8-dioxo-2,3-dihydro-1H-pyrrolo[1,2-a]indol-2-yl]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

319.11682 Da
Monoisotopic Mass

-2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 320.12410 172.2
[M+Na]+ 342.10604 178.9
[M+NH4]+ 337.15064 176.6
[M+K]+ 358.07998 180.4
[M-H]- 318.10954 170.9
[M+Na-2H]- 340.09149 169.4
[M]+ 319.11627 172.0
[M]- 319.11737 172.0
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.