CID 24208905

624725-18-4

Structural Information

Molecular Formula
C18H19N5O2S
SMILES
CCOC1=CC=C(C=C1)C2=NNC(=S)N2N/N=C/C(=C/C3=CC=CO3)/C
InChI
InChI=1S/C18H19N5O2S/c1-3-24-15-8-6-14(7-9-15)17-20-21-18(26)23(17)22-19-12-13(2)11-16-5-4-10-25-16/h4-12,22H,3H2,1-2H3,(H,21,26)/b13-11+,19-12+
InChIKey
NCTCUHNHEZMCGB-SZFRVYISSA-N
Compound name
3-(4-ethoxyphenyl)-4-[(2E)-2-[(E)-3-(furan-2-yl)-2-methylprop-2-enylidene]hydrazinyl]-1H-1,2,4-triazole-5-thione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

369.12595 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 370.133226 187.2
[M+Na]+ 392.115168 196.6
[M-H]- 368.118674 195.6
[M+NH4]+ 387.159773 198.1
[M+K]+ 408.089108 191.0
[M+H-H2O]+ 352.123210 178.1
[M+HCOO]- 414.124151 207.1
[M+CH3COO]- 428.139801 197.8
[M+Na-2H]- 390.100616 186.8
[M]+ 369.12540142 192.5
[M]- 369.12649858 192.5
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.