CID 2001409

618879-99-5

Structural Information

Molecular Formula
C19H20N4O3S
SMILES
CCOC1=CC=CC=C1NC(=O)CSC2=NN=C(N2CC=C)C3=CC=CO3
InChI
InChI=1S/C19H20N4O3S/c1-3-11-23-18(16-10-7-12-26-16)21-22-19(23)27-13-17(24)20-14-8-5-6-9-15(14)25-4-2/h3,5-10,12H,1,4,11,13H2,2H3,(H,20,24)
InChIKey
LCSQCFMPHRGDAC-UHFFFAOYSA-N
Compound name
N-(2-ethoxyphenyl)-2-[[5-(furan-2-yl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

384.1256 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 385.13288 190.5
[M+Na]+ 407.11482 202.6
[M+NH4]+ 402.15942 195.7
[M+K]+ 423.08876 198.1
[M-H]- 383.11832 195.0
[M+Na-2H]- 405.10027 196.7
[M]+ 384.12505 193.8
[M]- 384.12615 193.8
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.