CID 135499452

Nsc660058

Structural Information

Molecular Formula
C14H16N4O3S
SMILES
C/C(=C(/C=N/C(=S)NNC(=O)C)\C(=O)NC1=CC=CC=C1)/O
InChI
InChI=1S/C14H16N4O3S/c1-9(19)12(8-15-14(22)18-17-10(2)20)13(21)16-11-6-4-3-5-7-11/h3-8,19H,1-2H3,(H,16,21)(H,17,20)(H,18,22)/b12-9+,15-8+
InChIKey
QWLUWGKQSGFJDW-DAJAYKEYSA-N
Compound name
(E)-2-[(E)-acetamidocarbamothioyliminomethyl]-3-hydroxy-N-phenylbut-2-enamide
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 176.0
[M+Na]+ 343.08352 177.7
[M-H]- 319.08702 178.5
[M+NH4]+ 338.12812 188.6
[M+K]+ 359.05746 174.8
[M+H-H2O]+ 303.09156 167.5
[M+HCOO]- 365.09250 193.7
[M+CH3COO]- 379.10815 212.4
[M+Na-2H]- 341.06897 174.9
[M]+ 320.09375 173.6
[M]- 320.09485 173.6
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.