CID 29948

Aniline, n-(6-diethylaminohexyl)-4-methyl-3-phenyl-, dioxalate, monohydrate

Structural Information

Molecular Formula
C23H34N2
SMILES
CCN(CC)CCCCCCNC1=CC(=C(C=C1)C)C2=CC=CC=C2
InChI
InChI=1S/C23H34N2/c1-4-25(5-2)18-12-7-6-11-17-24-22-16-15-20(3)23(19-22)21-13-9-8-10-14-21/h8-10,13-16,19,24H,4-7,11-12,17-18H2,1-3H3
InChIKey
ZQTPRGONJSPEGF-UHFFFAOYSA-N
Compound name
N',N'-diethyl-N-(4-methyl-3-phenylphenyl)hexane-1,6-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

338.2722 Da
Monoisotopic Mass

6.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 339.27948 188.8
[M+Na]+ 361.26142 191.7
[M-H]- 337.26492 195.3
[M+NH4]+ 356.30602 202.4
[M+K]+ 377.23536 186.9
[M+H-H2O]+ 321.26946 179.0
[M+HCOO]- 383.27040 212.5
[M+CH3COO]- 397.28605 224.4
[M+Na-2H]- 359.24687 190.4
[M]+ 338.27165 191.5
[M]- 338.27275 191.5
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.