CID 490556

N-[4-[4-(dimethylamino)phenoxy]phenyl]cycloheptanamine

Structural Information

Molecular Formula
C21H28N2O
SMILES
CN(C)C1=CC=C(C=C1)OC2=CC=C(C=C2)NC3CCCCCC3
InChI
InChI=1S/C21H28N2O/c1-23(2)19-11-15-21(16-12-19)24-20-13-9-18(10-14-20)22-17-7-5-3-4-6-8-17/h9-17,22H,3-8H2,1-2H3
InChIKey
AJCHNQIPRKUPNW-UHFFFAOYSA-N
Compound name
N-[4-[4-(dimethylamino)phenoxy]phenyl]cycloheptanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

324.22015 Da
Monoisotopic Mass

5.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 325.22743 179.6
[M+Na]+ 347.20937 180.4
[M-H]- 323.21287 189.9
[M+NH4]+ 342.25397 192.1
[M+K]+ 363.18331 182.0
[M+H-H2O]+ 307.21741 171.1
[M+HCOO]- 369.21835 200.6
[M+CH3COO]- 383.23400 217.0
[M+Na-2H]- 345.19482 181.5
[M]+ 324.21960 173.3
[M]- 324.22070 173.3
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.