CID 36928

Brn 0412420

Structural Information

Molecular Formula
C17H21ClN2
SMILES
CCCCNC1=C2CCCCC2=NC3=C1C=C(C=C3)Cl
InChI
InChI=1S/C17H21ClN2/c1-2-3-10-19-17-13-6-4-5-7-15(13)20-16-9-8-12(18)11-14(16)17/h8-9,11H,2-7,10H2,1H3,(H,19,20)
InChIKey
QTHNMRUKIXNVEL-UHFFFAOYSA-N
Compound name
N-butyl-7-chloro-1,2,3,4-tetrahydroacridin-9-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

288.1393 Da
Monoisotopic Mass

5.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 289.14658 167.0
[M+Na]+ 311.12852 174.4
[M-H]- 287.13202 169.8
[M+NH4]+ 306.17312 184.2
[M+K]+ 327.10246 167.4
[M+H-H2O]+ 271.13656 159.3
[M+HCOO]- 333.13750 180.6
[M+CH3COO]- 347.15315 177.4
[M+Na-2H]- 309.11397 172.9
[M]+ 288.13875 167.3
[M]- 288.13985 167.3
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.