CID 175995

Compound 79297

Structural Information

Molecular Formula
C20H36N2O2
SMILES
CC(C)(C)NCCCOC1=CC(=CC=C1)OCCCNC(C)(C)C
InChI
InChI=1S/C20H36N2O2/c1-19(2,3)21-12-8-14-23-17-10-7-11-18(16-17)24-15-9-13-22-20(4,5)6/h7,10-11,16,21-22H,8-9,12-15H2,1-6H3
InChIKey
LIEXJFXVAZQICC-UHFFFAOYSA-N
Compound name
N-[3-[3-[3-(tert-butylamino)propoxy]phenoxy]propyl]-2-methylpropan-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

2
Patents

336.27768 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 337.28496 188.3
[M+Na]+ 359.26690 191.0
[M-H]- 335.27040 190.7
[M+NH4]+ 354.31150 201.9
[M+K]+ 375.24084 188.6
[M+H-H2O]+ 319.27494 180.9
[M+HCOO]- 381.27588 208.5
[M+CH3COO]- 395.29153 219.1
[M+Na-2H]- 357.25235 192.3
[M]+ 336.27713 192.8
[M]- 336.27823 192.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe