CID 411101

56208-10-7

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

0
Patents

310.2409 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 311.24818 180.1
[M+Na]+ 333.23012 181.7
[M-H]- 309.23362 186.3
[M+NH4]+ 328.27472 194.1
[M+K]+ 349.20406 177.8
[M+H-H2O]+ 293.23816 170.4
[M+HCOO]- 355.23910 203.5
[M+CH3COO]- 369.25475 217.0
[M+Na-2H]- 331.21557 183.0
[M]+ 310.24035 180.7
[M]- 310.24145 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