CID 1898238

143212-97-9

Structural Information

Molecular Formula
C24H29N3O2S
SMILES
CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)C(=O)CSC2=NN=CN2C3=CC=CC=C3
InChI
InChI=1S/C24H29N3O2S/c1-23(2,3)18-12-16(13-19(21(18)29)24(4,5)6)20(28)14-30-22-26-25-15-27(22)17-10-8-7-9-11-17/h7-13,15,29H,14H2,1-6H3
InChIKey
BAHDBEPESGFSQR-UHFFFAOYSA-N
Compound name
1-(3,5-ditert-butyl-4-hydroxyphenyl)-2-[(4-phenyl-1,2,4-triazol-3-yl)sulfanyl]ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

423.19806 Da
Monoisotopic Mass

6.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 424.20534 206.5
[M+Na]+ 446.18728 214.0
[M-H]- 422.19078 211.9
[M+NH4]+ 441.23188 214.7
[M+K]+ 462.16122 207.8
[M+H-H2O]+ 406.19532 197.7
[M+HCOO]- 468.19626 215.8
[M+CH3COO]- 482.21191 224.8
[M+Na-2H]- 444.17273 204.4
[M]+ 423.19751 211.1
[M]- 423.19861 211.1
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

No patent data available for this compound.