CID 454722

Thienoacridine, 6(4mepiperaz)

Structural Information

Molecular Formula
C20H21N3S
SMILES
CN1CCN(CC1)C2=C3CCC4=C(C3=NC5=CC=CC=C52)C=CS4
InChI
InChI=1S/C20H21N3S/c1-22-9-11-23(12-10-22)20-14-4-2-3-5-17(14)21-19-15-8-13-24-18(15)7-6-16(19)20/h2-5,8,13H,6-7,9-12H2,1H3
InChIKey
VLXLRTYRTYHTIV-UHFFFAOYSA-N
Compound name
6-(4-methylpiperazin-1-yl)-4,5-dihydrothieno[2,3-c]acridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

335.14563 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 336.15291 177.2
[M+Na]+ 358.13485 186.6
[M-H]- 334.13835 182.1
[M+NH4]+ 353.17945 192.4
[M+K]+ 374.10879 179.0
[M+H-H2O]+ 318.14289 167.7
[M+HCOO]- 380.14383 186.7
[M+CH3COO]- 394.15948 186.8
[M+Na-2H]- 356.12030 179.3
[M]+ 335.14508 176.8
[M]- 335.14618 176.8
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.