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]+ 353.258736 192.0
[M+Na]+ 375.240678 194.4
[M-H]- 351.244184 195.7
[M+NH4]+ 370.285283 205.6
[M+K]+ 391.214618 190.4
[M+H-H2O]+ 335.248720 183.9
[M+HCOO]- 397.249661 210.5
[M+CH3COO]- 411.265311 226.3
[M+Na-2H]- 373.226126 192.5
[M]+ 352.25091142 192.9
[M]- 352.25200858 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.