CID 79478

N,n-bis(2-diethylaminoethyl)aniline

Structural Information

Molecular Formula
C18H33N3
SMILES
CCN(CC)CCN(CCN(CC)CC)C1=CC=CC=C1
InChI
InChI=1S/C18H33N3/c1-5-19(6-2)14-16-21(17-15-20(7-3)8-4)18-12-10-9-11-13-18/h9-13H,5-8,14-17H2,1-4H3
InChIKey
FPVVUDMZUOYOEU-UHFFFAOYSA-N
Compound name
N'-[2-(diethylamino)ethyl]-N,N-diethyl-N'-phenylethane-1,2-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

291.26746 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 292.27474 178.8
[M+Na]+ 314.25668 180.1
[M-H]- 290.26018 184.8
[M+NH4]+ 309.30128 195.1
[M+K]+ 330.23062 180.1
[M+H-H2O]+ 274.26472 169.4
[M+HCOO]- 336.26566 204.8
[M+CH3COO]- 350.28131 223.6
[M+Na-2H]- 312.24213 180.6
[M]+ 291.26691 183.5
[M]- 291.26801 183.5
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