CID 44782

3-chloro-6-dimethylamino-4,4-diphenylheptane hydrochloride

Structural Information

Molecular Formula
C21H28ClN
SMILES
CCC(C(CC(C)N(C)C)(C1=CC=CC=C1)C2=CC=CC=C2)Cl
InChI
InChI=1S/C21H28ClN/c1-5-20(22)21(16-17(2)23(3)4,18-12-8-6-9-13-18)19-14-10-7-11-15-19/h6-15,17,20H,5,16H2,1-4H3
InChIKey
RMOJGVYPXWYDOZ-UHFFFAOYSA-N
Compound name
5-chloro-N,N-dimethyl-4,4-diphenylheptan-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

329.19104 Da
Monoisotopic Mass

5.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 330.19832 182.3
[M+Na]+ 352.18026 185.9
[M-H]- 328.18376 188.9
[M+NH4]+ 347.22486 196.9
[M+K]+ 368.15420 181.1
[M+H-H2O]+ 312.18830 174.5
[M+HCOO]- 374.18924 197.7
[M+CH3COO]- 388.20489 217.0
[M+Na-2H]- 350.16571 183.9
[M]+ 329.19049 185.1
[M]- 329.19159 185.1
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

No patent data available for this compound.