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]+ 320.124096 170.8
[M+Na]+ 342.106038 180.0
[M-H]- 318.109544 173.3
[M+NH4]+ 337.150643 188.2
[M+K]+ 358.079978 176.2
[M+H-H2O]+ 302.114080 166.4
[M+HCOO]- 364.115021 188.7
[M+CH3COO]- 378.130671 212.2
[M+Na-2H]- 340.091486 168.6
[M]+ 319.11627142 171.2
[M]- 319.11736858 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.