PubChemLite - 385392-18-7 (C19H16N4O3S2)

Structural Information

Molecular Formula

SMILES

CCNC1=C(C(=O)N2C=CC=CC2=N1)/C=C\3/C(=O)N(C(=S)S3)CC4=CC=CO4

InChI

InChI=1S/C19H16N4O3S2/c1-2-20-16-13(17(24)22-8-4-3-7-15(22)21-16)10-14-18(25)23(19(27)28-14)11-12-6-5-9-26-12/h3-10,20H,2,11H2,1H3/b14-10-

InChIKey

GHOMZQPQSWTENN-UVTDQMKNSA-N

Compound name

(5Z)-5-[[2-(ethylamino)-4-oxopyrido[1,2-a]pyrimidin-3-yl]methylidene]-3-(furan-2-ylmethyl)-2-sulfanylidene-1,3-thiazolidin-4-one

Related CIDs

2D Structure

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]+	413.07366	195.1
[M+Na]+	435.05560	208.1
[M+NH4]+	430.10020	201.3
[M+K]+	451.02954	200.9
[M-H]-	411.05910	200.3
[M+Na-2H]-	433.04105	199.5
[M]+	412.06583	199.2
[M]-	412.06693	199.2

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

413.07366

195.1

[M+Na]+

435.05560

208.1

[M+NH4]+

430.10020

201.3

[M+K]+

451.02954

200.9

[M-H]-

411.05910

200.3

[M+Na-2H]-

433.04105

199.5

[M]+

412.06583

199.2

[M]-

412.06693

199.2

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.

385392-18-7

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

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