CID 6434744

5-heptene, 2-(n,n-dimethylamino)-4,4-diphenyl-, hydrochloride

Structural Information

Molecular Formula
C21H27N
SMILES
C/C=C/C(CC(C)N(C)C)(C1=CC=CC=C1)C2=CC=CC=C2
InChI
InChI=1S/C21H27N/c1-5-16-21(17-18(2)22(3)4,19-12-8-6-9-13-19)20-14-10-7-11-15-20/h5-16,18H,17H2,1-4H3/b16-5+
InChIKey
JWLCMSGSZCGXOY-FZSIALSZSA-N
Compound name
(E)-N,N-dimethyl-4,4-diphenylhept-5-en-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

293.21436 Da
Monoisotopic Mass

5.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 294.221636 174.6
[M+Na]+ 316.203578 178.1
[M-H]- 292.207084 181.5
[M+NH4]+ 311.248183 189.9
[M+K]+ 332.177518 174.1
[M+H-H2O]+ 276.211620 166.2
[M+HCOO]- 338.212561 195.8
[M+CH3COO]- 352.228211 211.1
[M+Na-2H]- 314.189026 178.0
[M]+ 293.21381142 174.8
[M]- 293.21490858 174.8
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.