CID 3051480

N-(6-(dimethylamino)-4,4-diphenyl-3-heptylidene)propionamide hydrochloride

Structural Information

Molecular Formula
C24H32N2O
SMILES
CCC(=NC(=O)CC)C(CC(C)N(C)C)(C1=CC=CC=C1)C2=CC=CC=C2
InChI
InChI=1S/C24H32N2O/c1-6-22(25-23(27)7-2)24(18-19(3)26(4)5,20-14-10-8-11-15-20)21-16-12-9-13-17-21/h8-17,19H,6-7,18H2,1-5H3
InChIKey
XLPUOIUKIPXPPH-UHFFFAOYSA-N
Compound name
N-[6-(dimethylamino)-4,4-diphenylheptan-3-ylidene]propanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

364.25146 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 365.25874 194.4
[M+Na]+ 387.24068 195.7
[M-H]- 363.24418 202.1
[M+NH4]+ 382.28528 206.8
[M+K]+ 403.21462 193.1
[M+H-H2O]+ 347.24872 184.8
[M+HCOO]- 409.24966 215.4
[M+CH3COO]- 423.26531 229.5
[M+Na-2H]- 385.22613 194.8
[M]+ 364.25091 196.2
[M]- 364.25201 196.2
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.