CID 207497

Brn 2161413

Structural Information

Molecular Formula
C22H32N2O
SMILES
CCN(C)CCC(CCN(C)CC)(C=O)C1=CC=CC2=CC=CC=C21
InChI
InChI=1S/C22H32N2O/c1-5-23(3)16-14-22(18-25,15-17-24(4)6-2)21-13-9-11-19-10-7-8-12-20(19)21/h7-13,18H,5-6,14-17H2,1-4H3
InChIKey
BBVPSVKZPJZJDN-UHFFFAOYSA-N
Compound name
4-[ethyl(methyl)amino]-2-[2-[ethyl(methyl)amino]ethyl]-2-naphthalen-1-ylbutanal
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

340.25146 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 341.25874 188.3
[M+Na]+ 363.24068 191.4
[M-H]- 339.24418 193.9
[M+NH4]+ 358.28528 203.4
[M+K]+ 379.21462 188.8
[M+H-H2O]+ 323.24872 179.5
[M+HCOO]- 385.24966 210.0
[M+CH3COO]- 399.26531 227.1
[M+Na-2H]- 361.22613 191.9
[M]+ 340.25091 193.1
[M]- 340.25201 193.1
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.