CID 124077

9-diethylaminoethylthioacridine

Structural Information

Molecular Formula
C19H22N2S
SMILES
CCN(CC)CCSC1=C2C=CC=CC2=NC3=CC=CC=C31
InChI
InChI=1S/C19H22N2S/c1-3-21(4-2)13-14-22-19-15-9-5-7-11-17(15)20-18-12-8-6-10-16(18)19/h5-12H,3-4,13-14H2,1-2H3
InChIKey
IGTLCWXZGPKHGP-UHFFFAOYSA-N
Compound name
2-acridin-9-ylsulfanyl-N,N-diethylethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

310.15036 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 311.15764 171.1
[M+Na]+ 333.13958 179.4
[M-H]- 309.14308 176.1
[M+NH4]+ 328.18418 187.8
[M+K]+ 349.11352 173.7
[M+H-H2O]+ 293.14762 162.5
[M+HCOO]- 355.14856 188.5
[M+CH3COO]- 369.16421 182.4
[M+Na-2H]- 331.12503 177.2
[M]+ 310.14981 177.4
[M]- 310.15091 177.4
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.