CID 135630366

6208-40-8

Structural Information

Molecular Formula

C₁₄H₁₆N₄O₃S

SMILES

CN(C)C1=CC=C(C=C1)/C=N/N=C\2/NC(=O)C(S2)CC(=O)O

InChI

InChI=1S/C14H16N4O3S/c1-18(2)10-5-3-9(4-6-10)8-15-17-14-16-13(21)11(22-14)7-12(19)20/h3-6,8,11H,7H2,1-2H3,(H,19,20)(H,16,17,21)/b15-8+

InChIKey

VSTLAGXYQPZCBE-OVCLIPMQSA-N

Compound name

2-[(2Z)-2-[(E)-[4-(dimethylamino)phenyl]methylidenehydrazinylidene]-4-oxo-1,3-thiazolidin-5-yl]acetic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 320.0943 Da
Monoisotopic Mass: 1.6
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]+	321.101576	173.0
[M+Na]+	343.083518	178.4
[M-H]-	319.087024	179.7
[M+NH4]+	338.128123	187.7
[M+K]+	359.057458	175.1
[M+H-H2O]+	303.091560	164.6
[M+HCOO]-	365.092501	192.5
[M+CH3COO]-	379.108151	213.5
[M+Na-2H]-	341.068966	172.1
[M]+	320.09375142	173.7
[M]-	320.09484858	173.7

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.