CID 3022042

Piperazine, 1-acetyl-4-(2-(9-((4,5-dihydro-2-thiazolyl)hydrazono)-10(9h)-acridinyl)ethyl)-

Structural Information

Molecular Formula
C24H28N6OS
SMILES
CC(=O)N1CCN(CC1)CCN2C3=CC=CC=C3C(=NNC4=NCCS4)C5=CC=CC=C52
InChI
InChI=1S/C24H28N6OS/c1-18(31)29-14-11-28(12-15-29)13-16-30-21-8-4-2-6-19(21)23(20-7-3-5-9-22(20)30)26-27-24-25-10-17-32-24/h2-9H,10-17H2,1H3,(H,25,27)
InChIKey
GFOCDTQZJHBCGT-UHFFFAOYSA-N
Compound name
1-[4-[2-[9-(4,5-dihydro-1,3-thiazol-2-ylhydrazinylidene)acridin-10-yl]ethyl]piperazin-1-yl]ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

448.20453 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 449.21181 204.1
[M+Na]+ 471.19375 210.3
[M-H]- 447.19725 210.7
[M+NH4]+ 466.23835 211.7
[M+K]+ 487.16769 202.5
[M+H-H2O]+ 431.20179 192.4
[M+HCOO]- 493.20273 215.4
[M+CH3COO]- 507.21838 211.0
[M+Na-2H]- 469.17920 205.8
[M]+ 448.20398 203.8
[M]- 448.20508 203.8
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

patents stripe