CID 25921

1-dimethylamino-4-isopropyl-4-(1-naphthyl)-5-iminooctane

Structural Information

Molecular Formula
C23H34N2
SMILES
CCCC(=N)C(CCCN(C)C)(C1=CC=CC2=CC=CC=C21)C(C)C
InChI
InChI=1S/C23H34N2/c1-6-11-22(24)23(18(2)3,16-10-17-25(4)5)21-15-9-13-19-12-7-8-14-20(19)21/h7-9,12-15,18,24H,6,10-11,16-17H2,1-5H3
InChIKey
AIWLLLZTQQWCCO-UHFFFAOYSA-N
Compound name
5-imino-N,N-dimethyl-4-naphthalen-1-yl-4-propan-2-yloctan-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

338.2722 Da
Monoisotopic Mass

5.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 339.27948 189.2
[M+Na]+ 361.26142 191.3
[M-H]- 337.26492 193.3
[M+NH4]+ 356.30602 203.7
[M+K]+ 377.23536 187.6
[M+H-H2O]+ 321.26946 181.1
[M+HCOO]- 383.27040 207.9
[M+CH3COO]- 397.28605 226.4
[M+Na-2H]- 359.24687 190.6
[M]+ 338.27165 190.5
[M]- 338.27275 190.5
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.