CID 3057603

9-butylaminoacridine hydrochloride

Structural Information

Molecular Formula
C17H18N2
SMILES
CCCCNC1=C2C=CC=CC2=NC3=CC=CC=C31
InChI
InChI=1S/C17H18N2/c1-2-3-12-18-17-13-8-4-6-10-15(13)19-16-11-7-5-9-14(16)17/h4-11H,2-3,12H2,1H3,(H,18,19)
InChIKey
VPOZCJGDFISVRP-UHFFFAOYSA-N
Compound name
N-butylacridin-9-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

8
Patents

250.147 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 251.154276 156.6
[M+Na]+ 273.136218 165.4
[M-H]- 249.139724 160.6
[M+NH4]+ 268.180823 174.5
[M+K]+ 289.110158 159.4
[M+H-H2O]+ 233.144260 148.2
[M+HCOO]- 295.145201 179.2
[M+CH3COO]- 309.160851 168.7
[M+Na-2H]- 271.121666 166.9
[M]+ 250.14645142 158.7
[M]- 250.14754858 158.7
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

patents stripe