CID 5837117

Nsc150902

Structural Information

Molecular Formula

C₂₀H₂₃N₃O₂

SMILES

CC1CC(N/C(=C/C(=O)N2CC3=CC4=CC=CC=C4N=C3C2)/O1)(C)C

InChI

InChI=1S/C20H23N3O2/c1-13-10-20(2,3)22-18(25-13)9-19(24)23-11-15-8-14-6-4-5-7-16(14)21-17(15)12-23/h4-9,13,22H,10-12H2,1-3H3/b18-9-

InChIKey

SXNNSBVPIXLLOE-NVMNQCDNSA-N

Compound name

(2Z)-1-(1,3-dihydropyrrolo[3,4-b]quinolin-2-yl)-2-(4,4,6-trimethyl-1,3-oxazinan-2-ylidene)ethanone

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 337.17902 Da
Monoisotopic Mass: 2.7
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]+	338.186296	184.2
[M+Na]+	360.168238	191.5
[M-H]-	336.171744	187.4
[M+NH4]+	355.212843	197.4
[M+K]+	376.142178	186.0
[M+H-H2O]+	320.176280	174.5
[M+HCOO]-	382.177221	194.3
[M+CH3COO]-	396.192871	192.7
[M+Na-2H]-	358.153686	184.8
[M]+	337.17847142	180.7
[M]-	337.17956858	180.7

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.