CID 135841786

2-((4,6-dimethyl-2-pyrimidinyl)thio)n'-(3-ethoxy-2-ho-benzylidene)acetohydrazide

Structural Information

Molecular Formula
C17H20N4O3S
SMILES
CCOC1=CC=CC(=C1O)/C=N/NC(=O)CSC2=NC(=CC(=N2)C)C
InChI
InChI=1S/C17H20N4O3S/c1-4-24-14-7-5-6-13(16(14)23)9-18-21-15(22)10-25-17-19-11(2)8-12(3)20-17/h5-9,23H,4,10H2,1-3H3,(H,21,22)/b18-9+
InChIKey
DQOSPBFFYNPJPA-GIJQJNRQSA-N
Compound name
2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-[(E)-(3-ethoxy-2-hydroxyphenyl)methylideneamino]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

360.1256 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 361.13288 184.3
[M+Na]+ 383.11482 191.5
[M-H]- 359.11832 188.6
[M+NH4]+ 378.15942 194.5
[M+K]+ 399.08876 186.3
[M+H-H2O]+ 343.12286 174.5
[M+HCOO]- 405.12380 201.8
[M+CH3COO]- 419.13945 218.9
[M+Na-2H]- 381.10027 185.5
[M]+ 360.12505 189.6
[M]- 360.12615 189.6
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.