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

Adduct m/z Predicted CCS (Ų)
[M+H]+ 321.10158 173.0
[M+Na]+ 343.08352 178.4
[M-H]- 319.08702 179.7
[M+NH4]+ 338.12812 187.7
[M+K]+ 359.05746 175.1
[M+H-H2O]+ 303.09156 164.6
[M+HCOO]- 365.09250 192.5
[M+CH3COO]- 379.10815 213.5
[M+Na-2H]- 341.06897 172.1
[M]+ 320.09375 173.7
[M]- 320.09485 173.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.