CID 3074593

4h-thieno(2',3':4,5)pyrimido(2,1-b)benzoxazol-4-one, 2,3-dimethyl-

Structural Information

Molecular Formula

C₁₄H₁₀N₂O₂S

SMILES

CC1=C(SC2=C1C(=O)N3C4=CC=CC=C4OC3=N2)C

InChI

InChI=1S/C14H10N2O2S/c1-7-8(2)19-12-11(7)13(17)16-9-5-3-4-6-10(9)18-14(16)15-12/h3-6H,1-2H3

InChIKey

DUHZFZMPEGIVTD-UHFFFAOYSA-N

Compound name

13,14-dimethyl-8-oxa-12-thia-1,10-diazatetracyclo[7.7.0.02,7.011,15]hexadeca-2,4,6,9,11(15),13-hexaen-16-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 270.0463 Da
Monoisotopic Mass: 3.3
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]+	271.053576	157.0
[M+Na]+	293.035518	174.0
[M-H]-	269.039024	164.6
[M+NH4]+	288.080123	178.4
[M+K]+	309.009458	169.9
[M+H-H2O]+	253.043560	152.4
[M+HCOO]-	315.044501	176.4
[M+CH3COO]-	329.060151	172.5
[M+Na-2H]-	291.020966	161.8
[M]+	270.04575142	168.2
[M]-	270.04684858	168.2

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.