CID 98925

Nsc 180611

Structural Information

Molecular Formula
C21H29NO
SMILES
CCC(C)C(CCN(C)CC)(C=O)C1=CC=CC2=CC=CC=C21
InChI
InChI=1S/C21H29NO/c1-5-17(3)21(16-23,14-15-22(4)6-2)20-13-9-11-18-10-7-8-12-19(18)20/h7-13,16-17H,5-6,14-15H2,1-4H3
InChIKey
WXJXMKXOWLSVKE-UHFFFAOYSA-N
Compound name
2-[2-[ethyl(methyl)amino]ethyl]-3-methyl-2-naphthalen-1-ylpentanal
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

311.2249 Da
Monoisotopic Mass

5.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 312.232176 179.8
[M+Na]+ 334.214118 184.0
[M-H]- 310.217624 184.4
[M+NH4]+ 329.258723 195.8
[M+K]+ 350.188058 180.6
[M+H-H2O]+ 294.222160 172.1
[M+HCOO]- 356.223101 199.4
[M+CH3COO]- 370.238751 216.6
[M+Na-2H]- 332.199566 183.1
[M]+ 311.22435142 183.2
[M]- 311.22544858 183.2
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.