CID 22791

Diphenethylamine

Structural Information

Molecular Formula
C16H19N
SMILES
C1=CC=C(C=C1)CCNCCC2=CC=CC=C2
InChI
InChI=1S/C16H19N/c1-3-7-15(8-4-1)11-13-17-14-12-16-9-5-2-6-10-16/h1-10,17H,11-14H2
InChIKey
ACSAKRLPJQIBFB-UHFFFAOYSA-N
Compound name
2-phenyl-N-(2-phenylethyl)ethanamine
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

877
Patents

225.15175 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 226.15903 152.3
[M+Na]+ 248.14097 157.2
[M-H]- 224.14447 158.1
[M+NH4]+ 243.18557 169.7
[M+K]+ 264.11491 152.7
[M+H-H2O]+ 208.14901 144.4
[M+HCOO]- 270.14995 177.1
[M+CH3COO]- 284.16560 193.0
[M+Na-2H]- 246.12642 159.8
[M]+ 225.15120 151.3
[M]- 225.15230 151.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe