CID 6879414

4-{[(e)-(9-ethyl-9h-carbazol-3-yl)methylidene]amino}-5-(4-methoxyphenyl)-4h-1,2,4-triazole-3-thiol

Structural Information

Molecular Formula
C24H21N5OS
SMILES
CCN1C2=C(C=C(C=C2)/C=N/N3C(=NNC3=S)C4=CC=C(C=C4)OC)C5=CC=CC=C51
InChI
InChI=1S/C24H21N5OS/c1-3-28-21-7-5-4-6-19(21)20-14-16(8-13-22(20)28)15-25-29-23(26-27-24(29)31)17-9-11-18(30-2)12-10-17/h4-15H,3H2,1-2H3,(H,27,31)/b25-15+
InChIKey
GCMYYOBRGCTFPT-MFKUBSTISA-N
Compound name
4-[(E)-(9-ethylcarbazol-3-yl)methylideneamino]-3-(4-methoxyphenyl)-1H-1,2,4-triazole-5-thione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

427.14667 Da
Monoisotopic Mass

5.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 428.15395 202.3
[M+Na]+ 450.13589 220.1
[M+NH4]+ 445.18049 209.8
[M+K]+ 466.10983 211.7
[M-H]- 426.13939 208.5
[M+Na-2H]- 448.12134 211.2
[M]+ 427.14612 207.3
[M]- 427.14722 207.3
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.