CID 3063991

Ys-38

Structural Information

Molecular Formula
C21H29N
SMILES
CCN(CC)C(CCC1=CC=CC=C1)CCC2=CC=CC=C2
InChI
InChI=1S/C21H29N/c1-3-22(4-2)21(17-15-19-11-7-5-8-12-19)18-16-20-13-9-6-10-14-20/h5-14,21H,3-4,15-18H2,1-2H3
InChIKey
HITGHQWRBFLZPW-UHFFFAOYSA-N
Compound name
N,N-diethyl-1,5-diphenylpentan-3-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

295.23 Da
Monoisotopic Mass

5.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 296.23728 177.1
[M+Na]+ 318.21922 190.3
[M+NH4]+ 313.26382 186.3
[M+K]+ 334.19316 180.4
[M-H]- 294.22272 183.4
[M+Na-2H]- 316.20467 186.6
[M]+ 295.22945 180.9
[M]- 295.23055 180.9
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.