CID 88263

1,3-diphenylacetone p-tosylhydrazone

Structural Information

Molecular Formula
C22H22N2O2S
SMILES
CC1=CC=C(C=C1)S(=O)(=O)NN=C(CC2=CC=CC=C2)CC3=CC=CC=C3
InChI
InChI=1S/C22H22N2O2S/c1-18-12-14-22(15-13-18)27(25,26)24-23-21(16-19-8-4-2-5-9-19)17-20-10-6-3-7-11-20/h2-15,24H,16-17H2,1H3
InChIKey
GDXUEUWCUUAZFM-UHFFFAOYSA-N
Compound name
N-(1,3-diphenylpropan-2-ylideneamino)-4-methylbenzenesulfonamide
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

33
Patents

378.1402 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 379.14748 190.1
[M+Na]+ 401.12942 195.2
[M-H]- 377.13292 200.3
[M+NH4]+ 396.17402 201.6
[M+K]+ 417.10336 189.0
[M+H-H2O]+ 361.13746 180.1
[M+HCOO]- 423.13840 209.8
[M+CH3COO]- 437.15405 221.3
[M+Na-2H]- 399.11487 194.4
[M]+ 378.13965 191.7
[M]- 378.14075 191.7
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

patents stripe