CID 207498

30121-03-0

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

311.2249 Da
Monoisotopic Mass

4.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 312.23218 179.8
[M+Na]+ 334.21412 184.0
[M-H]- 310.21762 184.4
[M+NH4]+ 329.25872 195.8
[M+K]+ 350.18806 180.6
[M+H-H2O]+ 294.22216 172.1
[M+HCOO]- 356.22310 199.4
[M+CH3COO]- 370.23875 216.6
[M+Na-2H]- 332.19957 183.1
[M]+ 311.22435 183.2
[M]- 311.22545 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.