CID 208625

2-amino-1-hydroxy-7-methoxynitosene

Structural Information

Molecular Formula

C₁₅H₁₇N₃O₆

SMILES

CC1=C(C(=O)C2=C(C1=O)N3CC(C(C3=C2COC(=O)N)O)N)OC

InChI

InChI=1S/C15H17N3O6/c1-5-11(19)10-8(13(21)14(5)23-2)6(4-24-15(17)22)9-12(20)7(16)3-18(9)10/h7,12,20H,3-4,16H2,1-2H3,(H2,17,22)

InChIKey

YLUFIGVFCDSUBH-UHFFFAOYSA-N

Compound name

(2-amino-3-hydroxy-6-methoxy-7-methyl-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: 1
References: 0
Patents: 335.11172 Da
Monoisotopic Mass: -0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	336.118996	172.7
[M+Na]+	358.100938	182.0
[M-H]-	334.104444	176.0
[M+NH4]+	353.145543	189.7
[M+K]+	374.074878	179.4
[M+H-H2O]+	318.108980	167.9
[M+HCOO]-	380.109921	191.6
[M+CH3COO]-	394.125571	216.2
[M+Na-2H]-	356.086386	170.2
[M]+	335.11117142	175.3
[M]-	335.11226858	175.3

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.