CID 3673562

578745-12-7

Structural Information

Molecular Formula
C25H23N5O2S
SMILES
CCN1C2=C(C=C(C=C2)NC(=O)CSC3=NN=C(N3CC=C)C4=CC=CO4)C5=CC=CC=C51
InChI
InChI=1S/C25H23N5O2S/c1-3-13-30-24(22-10-7-14-32-22)27-28-25(30)33-16-23(31)26-17-11-12-21-19(15-17)18-8-5-6-9-20(18)29(21)4-2/h3,5-12,14-15H,1,4,13,16H2,2H3,(H,26,31)
InChIKey
OQLIVAOQCHYGLH-UHFFFAOYSA-N
Compound name
N-(9-ethylcarbazol-3-yl)-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

457.15726 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 458.16454 208.2
[M+Na]+ 480.14648 223.0
[M+NH4]+ 475.19108 214.5
[M+K]+ 496.12042 218.6
[M-H]- 456.14998 214.2
[M+Na-2H]- 478.13193 214.3
[M]+ 457.15671 212.5
[M]- 457.15781 212.5
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.