CID 71202

Botiacrine

Structural Information

Molecular Formula
C20H24N2OS
SMILES
CC1(C2=CC=CC=C2N(C3=CC=CC=C31)C(=O)SCCN(C)C)C
InChI
InChI=1S/C20H24N2OS/c1-20(2)15-9-5-7-11-17(15)22(18-12-8-6-10-16(18)20)19(23)24-14-13-21(3)4/h5-12H,13-14H2,1-4H3
InChIKey
QXRUCDDVUMKOPI-UHFFFAOYSA-N
Compound name
S-[2-(dimethylamino)ethyl] 9,9-dimethylacridine-10-carbothioate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

41
Patents

340.16095 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 341.16823 180.3
[M+Na]+ 363.15017 193.7
[M+NH4]+ 358.19477 191.0
[M+K]+ 379.12411 181.4
[M-H]- 339.15367 184.5
[M+Na-2H]- 361.13562 187.6
[M]+ 340.16040 184.2
[M]- 340.16150 184.2
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

patents stripe