CID 24208993

853329-51-8

Structural Information

Molecular Formula
C21H26N2O2S
SMILES
CC1=CSC(=N1)C2C3=C(CC(CC3=O)(C)C)NC4=C2C(=O)CC(C4)(C)C
InChI
InChI=1S/C21H26N2O2S/c1-11-10-26-19(22-11)18-16-12(6-20(2,3)8-14(16)24)23-13-7-21(4,5)9-15(25)17(13)18/h10,18,23H,6-9H2,1-5H3
InChIKey
BBNICTQESPIILC-UHFFFAOYSA-N
Compound name
3,3,6,6-tetramethyl-9-(4-methyl-1,3-thiazol-2-yl)-2,4,5,7,9,10-hexahydroacridine-1,8-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

370.1715 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 371.17878 187.0
[M+Na]+ 393.16072 196.5
[M-H]- 369.16422 191.2
[M+NH4]+ 388.20532 205.0
[M+K]+ 409.13466 189.9
[M+H-H2O]+ 353.16876 180.2
[M+HCOO]- 415.16970 193.7
[M+CH3COO]- 429.18535 196.2
[M+Na-2H]- 391.14617 185.3
[M]+ 370.17095 186.7
[M]- 370.17205 186.7
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.