CID 99701

Nsc 180693

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]+ 354.279126 192.8
[M+Na]+ 376.261068 195.1
[M-H]- 352.264574 196.9
[M+NH4]+ 371.305673 206.9
[M+K]+ 392.235008 192.2
[M+H-H2O]+ 336.269110 184.9
[M+HCOO]- 398.270051 209.3
[M+CH3COO]- 412.285701 227.2
[M+Na-2H]- 374.246516 192.2
[M]+ 353.27130142 196.0
[M]- 353.27239858 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.