CID 1890961

618412-48-9

Structural Information

Molecular Formula
C24H23N5O2S
SMILES
CCN1C2=C(C=C(C=C2)NC(=O)CSC3=NN=C(N3CC)C4=CC=CO4)C5=CC=CC=C51
InChI
InChI=1S/C24H23N5O2S/c1-3-28-19-9-6-5-8-17(19)18-14-16(11-12-20(18)28)25-22(30)15-32-24-27-26-23(29(24)4-2)21-10-7-13-31-21/h5-14H,3-4,15H2,1-2H3,(H,25,30)
InChIKey
OKUUCTJPQJBHRR-UHFFFAOYSA-N
Compound name
N-(9-ethylcarbazol-3-yl)-2-[[4-ethyl-5-(furan-2-yl)-1,2,4-triazol-3-yl]sulfanyl]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

5
References

6
Patents

445.15726 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 446.16454 206.1
[M+Na]+ 468.14648 218.3
[M-H]- 444.14998 216.5
[M+NH4]+ 463.19108 217.3
[M+K]+ 484.12042 212.9
[M+H-H2O]+ 428.15452 198.7
[M+HCOO]- 490.15546 223.4
[M+CH3COO]- 504.17111 216.7
[M+Na-2H]- 466.13193 203.8
[M]+ 445.15671 217.2
[M]- 445.15781 217.2
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

patents stripe