CID 454721

Thienoacridine, 6(me2netnh)

Structural Information

Molecular Formula
C19H21N3S
SMILES
CN(C)CCNC1=C2CCC3=C(C2=NC4=CC=CC=C41)C=CS3
InChI
InChI=1S/C19H21N3S/c1-22(2)11-10-20-18-13-5-3-4-6-16(13)21-19-14-9-12-23-17(14)8-7-15(18)19/h3-6,9,12H,7-8,10-11H2,1-2H3,(H,20,21)
InChIKey
HUJLMWLOCYNKNE-UHFFFAOYSA-N
Compound name
N-(4,5-dihydrothieno[2,3-c]acridin-6-yl)-N',N'-dimethylethane-1,2-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

323.14563 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 324.152906 171.3
[M+Na]+ 346.134848 180.1
[M-H]- 322.138354 177.6
[M+NH4]+ 341.179453 190.2
[M+K]+ 362.108788 174.5
[M+H-H2O]+ 306.142890 163.7
[M+HCOO]- 368.143831 189.0
[M+CH3COO]- 382.159481 182.8
[M+Na-2H]- 344.120296 177.1
[M]+ 323.14508142 176.1
[M]- 323.14617858 176.1
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.