CID 434276

Thioacronycine

Structural Information

Molecular Formula

C₂₀H₁₉NO₂S

SMILES

CC1(C=CC2=C3C(=C(C=C2O1)OC)C(=S)C4=CC=CC=C4N3C)C

InChI

InChI=1S/C20H19NO2S/c1-20(2)10-9-13-15(23-20)11-16(22-4)17-18(13)21(3)14-8-6-5-7-12(14)19(17)24/h5-11H,1-4H3

InChIKey

NYPYJQDYZLBCCG-UHFFFAOYSA-N

Compound name

6-methoxy-3,3,12-trimethylpyrano[2,3-c]acridine-7-thione

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 3
Patents: 337.11365 Da
Monoisotopic Mass: 4.3
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]+	338.12093	175.9
[M+Na]+	360.10287	189.2
[M-H]-	336.10637	182.6
[M+NH4]+	355.14747	193.5
[M+K]+	376.07681	184.2
[M+H-H2O]+	320.11091	167.6
[M+HCOO]-	382.11185	189.3
[M+CH3COO]-	396.12750	188.2
[M+Na-2H]-	358.08832	182.7
[M]+	337.11310	183.9
[M]-	337.11420	183.9

Literature stripe

literature stripe

Patent stripe

patents stripe