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]+ 370.13323 187.2
[M+Na]+ 392.11517 196.6
[M-H]- 368.11867 195.6
[M+NH4]+ 387.15977 198.1
[M+K]+ 408.08911 191.0
[M+H-H2O]+ 352.12321 178.1
[M+HCOO]- 414.12415 207.1
[M+CH3COO]- 428.13980 197.8
[M+Na-2H]- 390.10062 186.8
[M]+ 369.12540 192.5
[M]- 369.12650 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.