CID 551766

126002-35-5

Structural Information

Molecular Formula
C19H32N2O
SMILES
CC(CC1=CC=C(C=C1)OCCCN2CCCCC2)N(C)C
InChI
InChI=1S/C19H32N2O/c1-17(20(2)3)16-18-8-10-19(11-9-18)22-15-7-14-21-12-5-4-6-13-21/h8-11,17H,4-7,12-16H2,1-3H3
InChIKey
FRBLZANUSGTTOE-UHFFFAOYSA-N
Compound name
N,N-dimethyl-1-[4-(3-piperidin-1-ylpropoxy)phenyl]propan-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

304.25146 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 305.25874 178.6
[M+Na]+ 327.24068 179.7
[M-H]- 303.24418 183.0
[M+NH4]+ 322.28528 191.9
[M+K]+ 343.21462 177.4
[M+H-H2O]+ 287.24872 168.7
[M+HCOO]- 349.24966 196.3
[M+CH3COO]- 363.26531 212.9
[M+Na-2H]- 325.22613 178.6
[M]+ 304.25091 177.2
[M]- 304.25201 177.2
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