CID 3022044

1-acetyl-4-(2-(9-(2-thiazolylhydrazono)-10(9h)-acridinyl)ethyl)piperazine dihydrochloride

Structural Information

Molecular Formula
C24H26N6OS
SMILES
CC(=O)N1CCN(CC1)CCN2C3=CC=CC=C3C(=NNC4=NC=CS4)C5=CC=CC=C52
InChI
InChI=1S/C24H26N6OS/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/h2-10,17H,11-16H2,1H3,(H,25,27)
InChIKey
MVOHJMFXYZQWRQ-UHFFFAOYSA-N
Compound name
1-[4-[2-[9-(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

4
Patents

446.18887 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 447.19615 203.4
[M+Na]+ 469.17809 210.6
[M-H]- 445.18159 210.4
[M+NH4]+ 464.22269 211.1
[M+K]+ 485.15203 202.4
[M+H-H2O]+ 429.18613 191.7
[M+HCOO]- 491.18707 216.1
[M+CH3COO]- 505.20272 210.8
[M+Na-2H]- 467.16354 206.0
[M]+ 446.18832 204.5
[M]- 446.18942 204.5
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