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]+ 327.243076 181.4
[M+Na]+ 349.225018 186.0
[M-H]- 325.228524 183.7
[M+NH4]+ 344.269623 196.0
[M+K]+ 365.198958 180.4
[M+H-H2O]+ 309.233060 172.0
[M+HCOO]- 371.234001 198.4
[M+CH3COO]- 385.249651 216.0
[M+Na-2H]- 347.210466 185.7
[M]+ 326.23525142 182.2
[M]- 326.23634858 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.