CID 3087346

10-(2-(4-methyl-1-piperazinyl)ethyl)-9-acridanone (2-thiazolyl)hydrazone hydrochloride (2:5)

Structural Information

Molecular Formula
C23H26N6S
SMILES
CN1CCN(CC1)CCN2C3=CC=CC=C3C(=NNC4=NC=CS4)C5=CC=CC=C52
InChI
InChI=1S/C23H26N6S/c1-27-11-13-28(14-12-27)15-16-29-20-8-4-2-6-18(20)22(19-7-3-5-9-21(19)29)25-26-23-24-10-17-30-23/h2-10,17H,11-16H2,1H3,(H,24,26)
InChIKey
NJLFXLKXJDUTIW-UHFFFAOYSA-N
Compound name
N-[[10-[2-(4-methylpiperazin-1-yl)ethyl]acridin-9-ylidene]amino]-1,3-thiazol-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

418.19397 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 419.20125 196.1
[M+Na]+ 441.18319 204.3
[M-H]- 417.18669 203.2
[M+NH4]+ 436.22779 205.3
[M+K]+ 457.15713 195.5
[M+H-H2O]+ 401.19123 184.4
[M+HCOO]- 463.19217 209.9
[M+CH3COO]- 477.20782 204.3
[M+Na-2H]- 439.16864 199.9
[M]+ 418.19342 196.9
[M]- 418.19452 196.9
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