CID 99701

30121-11-0

Structural Information

Molecular Formula
C24H35NO
SMILES
CCC(C)C(CCN(C(C)C)C(C)C)(C=O)C1=CC=CC2=CC=CC=C21
InChI
InChI=1S/C24H35NO/c1-7-20(6)24(17-26,15-16-25(18(2)3)19(4)5)23-14-10-12-21-11-8-9-13-22(21)23/h8-14,17-20H,7,15-16H2,1-6H3
InChIKey
YRNSKZPZXBEROC-UHFFFAOYSA-N
Compound name
2-[2-[di(propan-2-yl)amino]ethyl]-3-methyl-2-naphthalen-1-ylpentanal
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

353.27185 Da
Monoisotopic Mass

6.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 354.27913 192.8
[M+Na]+ 376.26107 195.1
[M-H]- 352.26457 196.9
[M+NH4]+ 371.30567 206.9
[M+K]+ 392.23501 192.2
[M+H-H2O]+ 336.26911 184.9
[M+HCOO]- 398.27005 209.3
[M+CH3COO]- 412.28570 227.2
[M+Na-2H]- 374.24652 192.2
[M]+ 353.27130 196.0
[M]- 353.27240 196.0
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.