CID 6873151

N'-[(e)-(9-ethyl-9h-carbazol-3-yl)methylidene]-2-{[4-ethyl-5-(4-methoxyphenyl)-4h-1,2,4-triazol-3-yl]sulfanyl}acetohydrazide

Structural Information

Molecular Formula
C28H28N6O2S
SMILES
CCN1C2=C(C=C(C=C2)/C=N/NC(=O)CSC3=NN=C(N3CC)C4=CC=C(C=C4)OC)C5=CC=CC=C51
InChI
InChI=1S/C28H28N6O2S/c1-4-33-24-9-7-6-8-22(24)23-16-19(10-15-25(23)33)17-29-30-26(35)18-37-28-32-31-27(34(28)5-2)20-11-13-21(36-3)14-12-20/h6-17H,4-5,18H2,1-3H3,(H,30,35)/b29-17+
InChIKey
YZWQTMKQSUUWOI-STBIYBPSSA-N
Compound name
N-[(E)-(9-ethylcarbazol-3-yl)methylideneamino]-2-[[4-ethyl-5-(4-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

512.19946 Da
Monoisotopic Mass

4.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 513.20674 225.5
[M+Na]+ 535.18868 235.9
[M-H]- 511.19218 235.2
[M+NH4]+ 530.23328 233.3
[M+K]+ 551.16262 227.9
[M+H-H2O]+ 495.19672 214.9
[M+HCOO]- 557.19766 243.4
[M+CH3COO]- 571.21331 233.9
[M+Na-2H]- 533.17413 225.3
[M]+ 512.19891 236.5
[M]- 512.20001 236.5
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.