CID 6434744

6-dimethylamino-4,4-diphenyl-2-heptene 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]+ 294.22164 176.0
[M+Na]+ 316.20358 188.9
[M+NH4]+ 311.24818 184.7
[M+K]+ 332.17752 180.3
[M-H]- 292.20708 181.4
[M+Na-2H]- 314.18903 185.3
[M]+ 293.21381 179.6
[M]- 293.21491 179.6
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.