CID 3126359

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

Structural Information

Molecular Formula
C21H20N2O
SMILES
CC1=CC=C(C=C1)NC(=O)C2=C3CCCCC3=NC4=CC=CC=C42
InChI
InChI=1S/C21H20N2O/c1-14-10-12-15(13-11-14)22-21(24)20-16-6-2-4-8-18(16)23-19-9-5-3-7-17(19)20/h2,4,6,8,10-13H,3,5,7,9H2,1H3,(H,22,24)
InChIKey
VOHKNAFCFQCGAM-UHFFFAOYSA-N
Compound name
N-(4-methylphenyl)-1,2,3,4-tetrahydroacridine-9-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

316.15756 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 317.16484 174.5
[M+Na]+ 339.14678 180.4
[M-H]- 315.15028 180.6
[M+NH4]+ 334.19138 188.7
[M+K]+ 355.12072 174.1
[M+H-H2O]+ 299.15482 164.4
[M+HCOO]- 361.15576 191.9
[M+CH3COO]- 375.17141 184.2
[M+Na-2H]- 337.13223 180.1
[M]+ 316.15701 171.2
[M]- 316.15811 171.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.