CID 3075611

9-acridinamine, 1,2,3,4-tetrahydro-n-heptyl-6-methoxy-

Structural Information

Molecular Formula
C21H30N2O
SMILES
CCCCCCCNC1=C2CCCCC2=NC3=C1C=CC(=C3)OC
InChI
InChI=1S/C21H30N2O/c1-3-4-5-6-9-14-22-21-17-10-7-8-11-19(17)23-20-15-16(24-2)12-13-18(20)21/h12-13,15H,3-11,14H2,1-2H3,(H,22,23)
InChIKey
JLHFZCNZUUJGRC-UHFFFAOYSA-N
Compound name
N-heptyl-6-methoxy-1,2,3,4-tetrahydroacridin-9-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

326.2358 Da
Monoisotopic Mass

6.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 327.24308 181.4
[M+Na]+ 349.22502 186.0
[M-H]- 325.22852 183.7
[M+NH4]+ 344.26962 196.0
[M+K]+ 365.19896 180.4
[M+H-H2O]+ 309.23306 172.0
[M+HCOO]- 371.23400 198.4
[M+CH3COO]- 385.24965 216.0
[M+Na-2H]- 347.21047 185.7
[M]+ 326.23525 182.2
[M]- 326.23635 182.2
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.