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 170.8
[M+Na]+ 342.10604 180.0
[M-H]- 318.10954 173.3
[M+NH4]+ 337.15064 188.2
[M+K]+ 358.07998 176.2
[M+H-H2O]+ 302.11408 166.4
[M+HCOO]- 364.11502 188.7
[M+CH3COO]- 378.13067 212.2
[M+Na-2H]- 340.09149 168.6
[M]+ 319.11627 171.2
[M]- 319.11737 171.2
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.