CID 33692

Brn 2377819

Structural Information

Molecular Formula
C16H28N2O
SMILES
CCN(CC)CCCOCCCC1=CC=C(C=C1)N
InChI
InChI=1S/C16H28N2O/c1-3-18(4-2)12-6-14-19-13-5-7-15-8-10-16(17)11-9-15/h8-11H,3-7,12-14,17H2,1-2H3
InChIKey
BGIZQRITMOGZDI-UHFFFAOYSA-N
Compound name
4-[3-[3-(diethylamino)propoxy]propyl]aniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

264.22015 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 265.22743 167.2
[M+Na]+ 287.20937 176.9
[M+NH4]+ 282.25397 174.7
[M+K]+ 303.18331 169.4
[M-H]- 263.21287 170.5
[M+Na-2H]- 285.19482 172.5
[M]+ 264.21960 169.3
[M]- 264.22070 169.3
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

No patent data available for this compound.