CID 2442218

556006-97-4

Structural Information

Molecular Formula
C17H18N4O3S
SMILES
COC1=CC=CC(=C1)N2C(=CSC2=NCC3=CC=CO3)CC(=O)NN
InChI
InChI=1S/C17H18N4O3S/c1-23-14-5-2-4-12(8-14)21-13(9-16(22)20-18)11-25-17(21)19-10-15-6-3-7-24-15/h2-8,11H,9-10,18H2,1H3,(H,20,22)
InChIKey
BODOHZNIGJRCHW-UHFFFAOYSA-N
Compound name
2-[2-(furan-2-ylmethylimino)-3-(3-methoxyphenyl)-1,3-thiazol-4-yl]acetohydrazide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

358.10995 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 359.117226 182.6
[M+Na]+ 381.099168 191.2
[M-H]- 357.102674 194.4
[M+NH4]+ 376.143773 196.6
[M+K]+ 397.073108 187.9
[M+H-H2O]+ 341.107210 174.2
[M+HCOO]- 403.108151 207.2
[M+CH3COO]- 417.123801 217.6
[M+Na-2H]- 379.084616 183.6
[M]+ 358.10940142 188.8
[M]- 358.11049858 188.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.