CID 3749709

618880-13-0

Structural Information

Molecular Formula
C26H24N6OS
SMILES
CCN1C2=C(C=C(C=C2)NC(=O)CSC3=NN=C(N3CC=C)C4=CC=CC=N4)C5=CC=CC=C51
InChI
InChI=1S/C26H24N6OS/c1-3-15-32-25(21-10-7-8-14-27-21)29-30-26(32)34-17-24(33)28-18-12-13-23-20(16-18)19-9-5-6-11-22(19)31(23)4-2/h3,5-14,16H,1,4,15,17H2,2H3,(H,28,33)
InChIKey
ULSHUNUTXBXQDN-UHFFFAOYSA-N
Compound name
N-(9-ethylcarbazol-3-yl)-2-[(4-prop-2-enyl-5-pyridin-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

468.17322 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 469.18050 211.6
[M+Na]+ 491.16244 228.0
[M+NH4]+ 486.20704 217.9
[M+K]+ 507.13638 220.3
[M-H]- 467.16594 216.8
[M+Na-2H]- 489.14789 219.8
[M]+ 468.17267 216.0
[M]- 468.17377 216.0
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.