CID 24901756

Ethyl 4-[2-formyl-2-(2,2,4,4-tetramethyl-3h-thiochromen-6-yl)hydrazinyl]benzoate

Structural Information

Molecular Formula
C23H28N2O3S
SMILES
CCOC(=O)C1=CC=C(C=C1)NN(C=O)C2=CC3=C(C=C2)SC(CC3(C)C)(C)C
InChI
InChI=1S/C23H28N2O3S/c1-6-28-21(27)16-7-9-17(10-8-16)24-25(15-26)18-11-12-20-19(13-18)22(2,3)14-23(4,5)29-20/h7-13,15,24H,6,14H2,1-5H3
InChIKey
DRRVORJKLCTZAO-UHFFFAOYSA-N
Compound name
ethyl 4-[2-formyl-2-(2,2,4,4-tetramethyl-3H-thiochromen-6-yl)hydrazinyl]benzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

412.18207 Da
Monoisotopic Mass

5.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 413.18935 195.7
[M+Na]+ 435.17129 201.3
[M-H]- 411.17479 203.4
[M+NH4]+ 430.21589 211.6
[M+K]+ 451.14523 198.0
[M+H-H2O]+ 395.17933 187.6
[M+HCOO]- 457.18027 210.9
[M+CH3COO]- 471.19592 232.6
[M+Na-2H]- 433.15674 198.1
[M]+ 412.18152 200.6
[M]- 412.18262 200.6
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.