CID 24208973

7197-79-7

Structural Information

Molecular Formula
C18H22N2O
SMILES
CCCCNC(=O)C1=C2CCCCC2=NC3=CC=CC=C31
InChI
InChI=1S/C18H22N2O/c1-2-3-12-19-18(21)17-13-8-4-6-10-15(13)20-16-11-7-5-9-14(16)17/h4,6,8,10H,2-3,5,7,9,11-12H2,1H3,(H,19,21)
InChIKey
GLWVFSXRCHILIR-UHFFFAOYSA-N
Compound name
N-butyl-1,2,3,4-tetrahydroacridine-9-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

282.17322 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 283.18050 166.7
[M+Na]+ 305.16244 171.8
[M-H]- 281.16594 169.4
[M+NH4]+ 300.20704 182.8
[M+K]+ 321.13638 166.8
[M+H-H2O]+ 265.17048 158.1
[M+HCOO]- 327.17142 184.0
[M+CH3COO]- 341.18707 205.4
[M+Na-2H]- 303.14789 172.3
[M]+ 282.17267 164.8
[M]- 282.17377 164.8
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

No patent data available for this compound.