CID 3359610

N-(1,3-thiazol-2-yl)-1,2,3,4-tetrahydro-9-acridinecarboxamide

Structural Information

Molecular Formula
C17H15N3OS
SMILES
C1CCC2=NC3=CC=CC=C3C(=C2C1)C(=O)NC4=NC=CS4
InChI
InChI=1S/C17H15N3OS/c21-16(20-17-18-9-10-22-17)15-11-5-1-3-7-13(11)19-14-8-4-2-6-12(14)15/h1,3,5,7,9-10H,2,4,6,8H2,(H,18,20,21)
InChIKey
LGPIFVVGQHRDOK-UHFFFAOYSA-N
Compound name
N-(1,3-thiazol-2-yl)-1,2,3,4-tetrahydroacridine-9-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

309.0936 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 310.10088 166.9
[M+Na]+ 332.08282 175.6
[M-H]- 308.08632 172.9
[M+NH4]+ 327.12742 183.0
[M+K]+ 348.05676 169.6
[M+H-H2O]+ 292.09086 158.8
[M+HCOO]- 354.09180 182.4
[M+CH3COO]- 368.10745 177.9
[M+Na-2H]- 330.06827 171.6
[M]+ 309.09305 167.9
[M]- 309.09415 167.9
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

No patent data available for this compound.