CID 36931

9-acridinamine, 1,2,3,4-tetrahydro-7-bromo-n-butyl-

Structural Information

Molecular Formula
C17H21BrN2
SMILES
CCCCNC1=C2CCCCC2=NC3=C1C=C(C=C3)Br
InChI
InChI=1S/C17H21BrN2/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
IFROZROGPOBMJE-UHFFFAOYSA-N
Compound name
7-bromo-N-butyl-1,2,3,4-tetrahydroacridin-9-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

332.0888 Da
Monoisotopic Mass

5.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 333.09608 172.4
[M+Na]+ 355.07802 181.5
[M-H]- 331.08152 177.8
[M+NH4]+ 350.12262 190.5
[M+K]+ 371.05196 168.3
[M+H-H2O]+ 315.08606 170.4
[M+HCOO]- 377.08700 188.3
[M+CH3COO]- 391.10265 184.1
[M+Na-2H]- 353.06347 179.2
[M]+ 332.08825 189.1
[M]- 332.08935 189.1
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.