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]+ 359.11723 182.6
[M+Na]+ 381.09917 191.2
[M-H]- 357.10267 194.4
[M+NH4]+ 376.14377 196.6
[M+K]+ 397.07311 187.9
[M+H-H2O]+ 341.10721 174.2
[M+HCOO]- 403.10815 207.2
[M+CH3COO]- 417.12380 217.6
[M+Na-2H]- 379.08462 183.6
[M]+ 358.10940 188.8
[M]- 358.11050 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.