CID 3077165

Rs-2076

Structural Information

Molecular Formula

C₁₉H₂₂N₂O₂

SMILES

CC12CCCC3C1C4=C(CC3N)C5=C(N4C(=O)C2)C=CC=C5O

InChI

InChI=1S/C19H22N2O2/c1-19-7-3-4-10-12(20)8-11-16-13(5-2-6-14(16)22)21(15(23)9-19)18(11)17(10)19/h2,5-6,10,12,17,22H,3-4,7-9,20H2,1H3

InChIKey

HIAACXLYUNFLOO-UHFFFAOYSA-N

Compound name

10-amino-6-hydroxy-15-methyl-1-azapentacyclo[9.6.2.02,7.08,18.015,19]nonadeca-2(7),3,5,8(18)-tetraen-17-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 310.16812 Da
Monoisotopic Mass: 2.6
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]+	311.175396	171.9
[M+Na]+	333.157338	180.0
[M-H]-	309.160844	174.2
[M+NH4]+	328.201943	192.6
[M+K]+	349.131278	173.4
[M+H-H2O]+	293.165380	164.1
[M+HCOO]-	355.166321	183.3
[M+CH3COO]-	369.181971	181.6
[M+Na-2H]-	331.142786	175.5
[M]+	310.16757142	169.3
[M]-	310.16866858	169.3

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.