CID 21760

Dimefadane

Structural Information

Molecular Formula
C17H19N
SMILES
CN(C)C1CC(C2=CC=CC=C12)C3=CC=CC=C3
InChI
InChI=1S/C17H19N/c1-18(2)17-12-16(13-8-4-3-5-9-13)14-10-6-7-11-15(14)17/h3-11,16-17H,12H2,1-2H3
InChIKey
GAVBHVRHVQMWEI-UHFFFAOYSA-N
Compound name
N,N-dimethyl-3-phenyl-2,3-dihydro-1H-inden-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1128
Patents

237.15175 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 238.15903 155.2
[M+Na]+ 260.14097 162.0
[M-H]- 236.14447 164.1
[M+NH4]+ 255.18557 176.1
[M+K]+ 276.11491 158.2
[M+H-H2O]+ 220.14901 147.8
[M+HCOO]- 282.14995 179.3
[M+CH3COO]- 296.16560 168.3
[M+Na-2H]- 258.12642 159.3
[M]+ 237.15120 154.7
[M]- 237.15230 154.7
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