CID 68840

Etifelmine hydrochloride

Structural Information

Molecular Formula
C17H19N
SMILES
CCC(=C(C1=CC=CC=C1)C2=CC=CC=C2)CN
InChI
InChI=1S/C17H19N/c1-2-14(13-18)17(15-9-5-3-6-10-15)16-11-7-4-8-12-16/h3-12H,2,13,18H2,1H3
InChIKey
WNKCJOWTKXGERE-UHFFFAOYSA-N
Compound name
2-benzhydrylidenebutan-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

10
References

709
Patents

237.15175 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 238.15903 157.9
[M+Na]+ 260.14097 162.2
[M-H]- 236.14447 163.2
[M+NH4]+ 255.18557 174.4
[M+K]+ 276.11491 157.4
[M+H-H2O]+ 220.14901 150.1
[M+HCOO]- 282.14995 179.9
[M+CH3COO]- 296.16560 195.5
[M+Na-2H]- 258.12642 161.2
[M]+ 237.15120 154.3
[M]- 237.15230 154.3
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