CID 21583

Dibemethine

Structural Information

Molecular Formula
C15H17N
SMILES
CN(CC1=CC=CC=C1)CC2=CC=CC=C2
InChI
InChI=1S/C15H17N/c1-16(12-14-8-4-2-5-9-14)13-15-10-6-3-7-11-15/h2-11H,12-13H2,1H3
InChIKey
WYZDCUGWXKHESN-UHFFFAOYSA-N
Compound name
N-benzyl-N-methyl-1-phenylmethanamine
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

8
References

2884
Patents

211.1361 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 212.14338 148.3
[M+Na]+ 234.12532 153.8
[M-H]- 210.12882 155.8
[M+NH4]+ 229.16992 166.9
[M+K]+ 250.09926 150.9
[M+H-H2O]+ 194.13336 140.3
[M+HCOO]- 256.13430 173.9
[M+CH3COO]- 270.14995 193.5
[M+Na-2H]- 232.11077 155.5
[M]+ 211.13555 148.2
[M]- 211.13665 148.2
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