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]+ 324.15291 171.3
[M+Na]+ 346.13485 180.1
[M-H]- 322.13835 177.6
[M+NH4]+ 341.17945 190.2
[M+K]+ 362.10879 174.5
[M+H-H2O]+ 306.14289 163.7
[M+HCOO]- 368.14383 189.0
[M+CH3COO]- 382.15948 182.8
[M+Na-2H]- 344.12030 177.1
[M]+ 323.14508 176.1
[M]- 323.14618 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.