CID 411101

1,3-propanediamine, n'-(1,2-diphenylethyl)-n,n-diethyl-

Structural Information

Molecular Formula
C21H30N2
SMILES
CCN(CC)CCCNC(CC1=CC=CC=C1)C2=CC=CC=C2
InChI
InChI=1S/C21H30N2/c1-3-23(4-2)17-11-16-22-21(20-14-9-6-10-15-20)18-19-12-7-5-8-13-19/h5-10,12-15,21-22H,3-4,11,16-18H2,1-2H3
InChIKey
MQOFTYLTYOIKJL-UHFFFAOYSA-N
Compound name
N-(1,2-diphenylethyl)-N',N'-diethylpropane-1,3-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

310.2409 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 311.248176 180.1
[M+Na]+ 333.230118 181.7
[M-H]- 309.233624 186.3
[M+NH4]+ 328.274723 194.1
[M+K]+ 349.204058 177.8
[M+H-H2O]+ 293.238160 170.4
[M+HCOO]- 355.239101 203.5
[M+CH3COO]- 369.254751 217.0
[M+Na-2H]- 331.215566 183.0
[M]+ 310.24035142 180.7
[M]- 310.24144858 180.7
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