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]+ 325.227426 179.6
[M+Na]+ 347.209368 180.4
[M-H]- 323.212874 189.9
[M+NH4]+ 342.253973 192.1
[M+K]+ 363.183308 182.0
[M+H-H2O]+ 307.217410 171.1
[M+HCOO]- 369.218351 200.6
[M+CH3COO]- 383.234001 217.0
[M+Na-2H]- 345.194816 181.5
[M]+ 324.21960142 173.3
[M]- 324.22069858 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.