CID 99705

50765-89-4

Structural Information

Molecular Formula
C23H32N2O
SMILES
CCN(CC)CCC(CC=C(C)C)(C1=CC=CC2=CC=CC=C21)C(=O)N
InChI
InChI=1S/C23H32N2O/c1-5-25(6-2)17-16-23(22(24)26,15-14-18(3)4)21-13-9-11-19-10-7-8-12-20(19)21/h7-14H,5-6,15-17H2,1-4H3,(H2,24,26)
InChIKey
MPEKZXIZMHBUPD-UHFFFAOYSA-N
Compound name
2-[2-(diethylamino)ethyl]-5-methyl-2-naphthalen-1-ylhex-4-enamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

352.25146 Da
Monoisotopic Mass

4.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 353.25874 192.0
[M+Na]+ 375.24068 194.4
[M-H]- 351.24418 195.7
[M+NH4]+ 370.28528 205.6
[M+K]+ 391.21462 190.4
[M+H-H2O]+ 335.24872 183.9
[M+HCOO]- 397.24966 210.5
[M+CH3COO]- 411.26531 226.3
[M+Na-2H]- 373.22613 192.5
[M]+ 352.25091 192.9
[M]- 352.25201 192.9
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.