CID 98924

30120-99-1

Structural Information

Molecular Formula
C20H28N2O
SMILES
CN(C)CCC(CCN(C)C)(C=O)C1=CC=CC2=CC=CC=C21
InChI
InChI=1S/C20H28N2O/c1-21(2)14-12-20(16-23,13-15-22(3)4)19-11-7-9-17-8-5-6-10-18(17)19/h5-11,16H,12-15H2,1-4H3
InChIKey
XEOBCOZTRNTVFP-UHFFFAOYSA-N
Compound name
4-(dimethylamino)-2-[2-(dimethylamino)ethyl]-2-naphthalen-1-ylbutanal
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

312.22015 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 313.22743 178.9
[M+Na]+ 335.20937 183.0
[M-H]- 311.21287 185.0
[M+NH4]+ 330.25397 195.2
[M+K]+ 351.18331 180.8
[M+H-H2O]+ 295.21741 170.6
[M+HCOO]- 357.21835 201.4
[M+CH3COO]- 371.23400 221.2
[M+Na-2H]- 333.19482 183.6
[M]+ 312.21960 183.1
[M]- 312.22070 183.1
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.