CID 128604

Motqp

Structural Information

Molecular Formula

SMILES

COC[C@H]1CCCN1C(=O)C2=C3C4=C(C=CN3C(=O)C(=C2)C5=CC=CC=C5)C=CS4

InChI

InChI=1S/C24H22N2O3S/c1-29-15-18-8-5-11-25(18)24(28)20-14-19(16-6-3-2-4-7-16)23(27)26-12-9-17-10-13-30-22(17)21(20)26/h2-4,6-7,9-10,12-14,18H,5,8,11,15H2,1H3/t18-/m1/s1

InChIKey

FPZGMBQNUCUBND-GOSISDBHSA-N

Compound name

10-[(2R)-2-(methoxymethyl)pyrrolidine-1-carbonyl]-8-phenylthieno[2,3-a]quinolizin-7-one

Related CIDs

2D Structure

1
Annotation Hits: 1
References: 13
Patents: 418.1351 Da
Monoisotopic Mass: 3.1
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]+	419.14238	200.9
[M+Na]+	441.12432	210.8
[M-H]-	417.12782	211.1
[M+NH4]+	436.16892	214.8
[M+K]+	457.09826	204.5
[M+H-H2O]+	401.13236	192.9
[M+HCOO]-	463.13330	215.6
[M+CH3COO]-	477.14895	211.0
[M+Na-2H]-	439.10977	198.2
[M]+	418.13455	206.5
[M]-	418.13565	206.5

Literature stripe

Patent stripe