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 204.2
[M+Na]+ 450.13589 218.1
[M-H]- 426.13939 213.3
[M+NH4]+ 445.18049 215.6
[M+K]+ 466.10983 208.6
[M+H-H2O]+ 410.14393 194.9
[M+HCOO]- 472.14487 222.0
[M+CH3COO]- 486.16052 214.7
[M+Na-2H]- 448.12134 204.8
[M]+ 427.14612 212.4
[M]- 427.14722 212.4
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.